CID 5270516

Nsc330772

Structural Information

Molecular Formula
C15H13ClN4O2
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NC(=N2)C3=CC=CC=C3)Cl
InChI
InChI=1S/C15H13ClN4O2/c1-2-22-15(21)19-11-8-10-12(13(16)18-11)20-14(17-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,17,20)(H,18,19,21)
InChIKey
RMJXWOPTDKGHOX-UHFFFAOYSA-N
Compound name
ethyl N-(4-chloro-2-phenyl-1H-imidazo[4,5-c]pyridin-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

316.0727 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.07998 169.8
[M+Na]+ 339.06192 180.3
[M-H]- 315.06542 173.0
[M+NH4]+ 334.10652 183.1
[M+K]+ 355.03586 173.5
[M+H-H2O]+ 299.06996 160.7
[M+HCOO]- 361.07090 186.2
[M+CH3COO]- 375.08655 180.7
[M+Na-2H]- 337.04737 175.0
[M]+ 316.07215 173.8
[M]- 316.07325 173.8
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