CID 459862

Chembl350018

Structural Information

Molecular Formula
C15H15N5O2
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NC(=N2)C3=CC=CC=C3)N
InChI
InChI=1S/C15H15N5O2/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)(H3,16,18,19,21)
InChIKey
DAMMEXNVYLXZLD-UHFFFAOYSA-N
Compound name
ethyl N-(4-amino-2-phenyl-1H-imidazo[4,5-c]pyridin-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

297.1226 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12988 166.5
[M+Na]+ 320.11182 175.5
[M-H]- 296.11532 169.7
[M+NH4]+ 315.15642 179.2
[M+K]+ 336.08576 170.0
[M+H-H2O]+ 280.11986 157.1
[M+HCOO]- 342.12080 188.2
[M+CH3COO]- 356.13645 177.3
[M+Na-2H]- 318.09727 172.2
[M]+ 297.12205 167.0
[M]- 297.12315 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe