CID 5270640

Library 9

Structural Information

Molecular Formula
C32H33N5O2
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(N=C(C=C3N2)NC(=O)OCC)N(CCC4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C32H33N5O2/c1-3-23-15-17-26(18-16-23)30-33-27-21-28(35-32(38)39-4-2)34-31(29(27)36-30)37(22-25-13-9-6-10-14-25)20-19-24-11-7-5-8-12-24/h5-18,21H,3-4,19-20,22H2,1-2H3,(H,33,36)(H,34,35,38)
InChIKey
UGDGKPDPIXAUJL-UHFFFAOYSA-N
Compound name
ethyl N-[4-[benzyl(2-phenylethyl)amino]-2-(4-ethylphenyl)-1H-imidazo[4,5-c]pyridin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

641
Patents

519.2634 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.27068 227.7
[M+Na]+ 542.25262 231.5
[M-H]- 518.25612 236.9
[M+NH4]+ 537.29722 230.4
[M+K]+ 558.22656 223.6
[M+H-H2O]+ 502.26066 213.5
[M+HCOO]- 564.26160 246.2
[M+CH3COO]- 578.27725 233.3
[M+Na-2H]- 540.23807 228.9
[M]+ 519.26285 230.3
[M]- 519.26395 230.3
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.