CID 5270601

24 compound library

Structural Information

Molecular Formula
C23H23N5O2
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NC(=N2)C3=CC=CC=C3)N(C)CC4=CC=CC=C4
InChI
InChI=1S/C23H23N5O2/c1-3-30-23(29)26-19-14-18-20(27-21(24-18)17-12-8-5-9-13-17)22(25-19)28(2)15-16-10-6-4-7-11-16/h4-14H,3,15H2,1-2H3,(H,24,27)(H,25,26,29)
InChIKey
JCRJSHNKSDBZKF-UHFFFAOYSA-N
Compound name
ethyl N-[4-[benzyl(methyl)amino]-2-phenyl-1H-imidazo[4,5-c]pyridin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

401.18518 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.19246 195.3
[M+Na]+ 424.17440 201.6
[M-H]- 400.17790 202.5
[M+NH4]+ 419.21900 203.7
[M+K]+ 440.14834 195.6
[M+H-H2O]+ 384.18244 183.4
[M+HCOO]- 446.18338 216.3
[M+CH3COO]- 460.19903 204.0
[M+Na-2H]- 422.15985 199.6
[M]+ 401.18463 197.8
[M]- 401.18573 197.8
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

patents stripe