PubChemLite - 202189-77-3 (C32H44N4O2)

Structural Information

Molecular Formula

SMILES

CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C5=NC(CO5)(C)C

InChI

InChI=1S/C32H44N4O2/c1-6-37-22-21-36-28-10-8-7-9-27(28)33-29(36)25-16-19-35(20-17-25)18-15-24-11-13-26(14-12-24)32(4,5)30-34-31(2,3)23-38-30/h7-14,25H,6,15-23H2,1-5H3

InChIKey

MXKMEANVUFWYSG-UHFFFAOYSA-N

Compound name

2-[2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]propan-2-yl]-4,4-dimethyl-5H-1,3-oxazole

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]+	517.35372	232.7
[M+Na]+	539.33566	237.4
[M-H]-	515.33916	241.0
[M+NH4]+	534.38026	238.1
[M+K]+	555.30960	231.4
[M+H-H2O]+	499.34370	219.8
[M+HCOO]-	561.34464	242.7
[M+CH3COO]-	575.36029	238.2
[M+Na-2H]-	537.32111	228.1
[M]+	516.34589	235.3
[M]-	516.34699	235.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

517.35372

232.7

[M+Na]+

539.33566

237.4

[M-H]-

515.33916

241.0

[M+NH4]+

534.38026

238.1

[M+K]+

555.30960

231.4

[M+H-H2O]+

499.34370

219.8

[M+HCOO]-

561.34464

242.7

[M+CH3COO]-

575.36029

238.2

[M+Na-2H]-

537.32111

228.1

[M]+

516.34589

235.3

[M]-

516.34699

235.3

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

202189-77-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe