PubChemLite - Nsc641474 (C30H70N5O5P5)

Structural Information

Molecular Formula

SMILES

CC(C)N(C(C)C)P1OP(OP(OP(OP(O1)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C

InChI

InChI=1S/C30H70N5O5P5/c1-21(2)31(22(3)4)41-36-42(32(23(5)6)24(7)8)38-44(34(27(13)14)28(15)16)40-45(35(29(17)18)30(19)20)39-43(37-41)33(25(9)10)26(11)12/h21-30H,1-20H3

InChIKey

LOXBSTREZIYQSG-UHFFFAOYSA-N

Compound name

2-N,2-N,4-N,4-N,6-N,6-N,8-N,8-N,10-N,10-N-deca(propan-2-yl)-1,3,5,7,9,2,4,6,8,10-pentaoxapentaphosphecane-2,4,6,8,10-pentamine

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]+	736.41378	270.2
[M+Na]+	758.39572	294.5
[M-H]-	734.39922	290.7
[M+NH4]+	753.44032	302.1
[M+K]+	774.36966	289.4
[M+H-H2O]+	718.40376	260.5
[M+HCOO]-	780.40470	273.1
[M+CH3COO]-	794.42035	318.2
[M+Na-2H]-	756.38117	337.6
[M]+	735.40595	267.0
[M]-	735.40705	267.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

736.41378

270.2

[M+Na]+

758.39572

294.5

[M-H]-

734.39922

290.7

[M+NH4]+

753.44032

302.1

[M+K]+

774.36966

289.4

[M+H-H2O]+

718.40376

260.5

[M+HCOO]-

780.40470

273.1

[M+CH3COO]-

794.42035

318.2

[M+Na-2H]-

756.38117

337.6

[M]+

735.40595

267.0

[M]-

735.40705

267.0

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

Nsc641474

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe