PubChemLite - N-beta-hydroxyethyl-n'-solanesylpiperazine (C51H86N2O)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CN1CCN(CC1)CCO)/C)/C)/C)/C)/C)/C)/C)/C)C

InChI

InChI=1S/C51H86N2O/c1-43(2)19-11-20-44(3)21-12-22-45(4)23-13-24-46(5)25-14-26-47(6)27-15-28-48(7)29-16-30-49(8)31-17-32-50(9)33-18-34-51(10)35-36-52-37-39-53(40-38-52)41-42-54/h19,21,23,25,27,29,31,33,35,54H,11-18,20,22,24,26,28,30,32,34,36-42H2,1-10H3/b44-21-,45-23-,46-25-,47-27-,48-29-,49-31-,50-33-,51-35-

InChIKey

DTWQHARODGDOAV-NKUNRPDQSA-N

Compound name

2-[4-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]piperazin-1-yl]ethanol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	743.68128	273.0
[M+Na]+	765.66322	288.0
[M-H]-	741.66672	268.3
[M+NH4]+	760.70782	285.2
[M+K]+	781.63716	292.0
[M+H-H2O]+	725.67126	277.2
[M+HCOO]-	787.67220	268.1
[M+CH3COO]-	801.68785	293.7
[M+Na-2H]-	763.64867	261.5
[M]+	742.67345	272.0
[M]-	742.67455	272.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

743.68128

273.0

[M+Na]+

765.66322

288.0

[M-H]-

741.66672

268.3

[M+NH4]+

760.70782

285.2

[M+K]+

781.63716

292.0

[M+H-H2O]+

725.67126

277.2

[M+HCOO]-

787.67220

268.1

[M+CH3COO]-

801.68785

293.7

[M+Na-2H]-

763.64867

261.5

[M]+

742.67345

272.0

[M]-

742.67455

272.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-beta-hydroxyethyl-n'-solanesylpiperazine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe