CID 5277411

Carbamic acid, [2-(4-methylphenyl)-4-[3-phenyl-1-(phenylmethyl)propyl]-1h-imidazo[4,5-c]pyridin-6-yl]-, ethyl ester

Structural Information

Molecular Formula
C32H32N4O2
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NC(=N2)C3=CC=C(C=C3)C)C(CCC4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C32H32N4O2/c1-3-38-32(37)35-28-21-27-30(36-31(33-27)25-17-14-22(2)15-18-25)29(34-28)26(20-24-12-8-5-9-13-24)19-16-23-10-6-4-7-11-23/h4-15,17-18,21,26H,3,16,19-20H2,1-2H3,(H,33,36)(H,34,35,37)
InChIKey
BZAVJWYNDMEPES-UHFFFAOYSA-N
Compound name
ethyl N-[4-(1,4-diphenylbutan-2-yl)-2-(4-methylphenyl)-1H-imidazo[4,5-c]pyridin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.25253 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.25981 225.9
[M+Na]+ 527.24175 230.2
[M-H]- 503.24525 233.8
[M+NH4]+ 522.28635 228.9
[M+K]+ 543.21569 221.4
[M+H-H2O]+ 487.24979 212.2
[M+HCOO]- 549.25073 241.9
[M+CH3COO]- 563.26638 231.4
[M+Na-2H]- 525.22720 225.6
[M]+ 504.25198 227.3
[M]- 504.25308 227.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.