PubChemLite - 885692-52-4 (C26H32N6O2)

Structural Information

Molecular Formula

SMILES

CN(C)CC(=O)N1CCC(CC1)C2=CC(=C(C=C2)NC(=O)C3=NC=C(N3)C#N)C4=CCCCC4

InChI

InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34)

InChIKey

GUBJNPWVIUFSTR-UHFFFAOYSA-N

Compound name

5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide

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]+	461.26595	211.8
[M+Na]+	483.24789	214.1
[M-H]-	459.25139	215.6
[M+NH4]+	478.29249	214.6
[M+K]+	499.22183	206.4
[M+H-H2O]+	443.25593	192.5
[M+HCOO]-	505.25687	220.6
[M+CH3COO]-	519.27252	245.3
[M+Na-2H]-	481.23334	206.1
[M]+	460.25812	199.4
[M]-	460.25922	199.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

461.26595

211.8

[M+Na]+

483.24789

214.1

[M-H]-

459.25139

215.6

[M+NH4]+

478.29249

214.6

[M+K]+

499.22183

206.4

[M+H-H2O]+

443.25593

192.5

[M+HCOO]-

505.25687

220.6

[M+CH3COO]-

519.27252

245.3

[M+Na-2H]-

481.23334

206.1

[M]+

460.25812

199.4

[M]-

460.25922

199.4

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

885692-52-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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