CID 129626303

Brn 5053078

Structural Information

Molecular Formula
C13H12N4O
SMILES
CN1C2=C(C=CN=C2)N(C1=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C13H12N4O/c1-16-12-8-15-7-6-11(12)17(13(16)18)10-4-2-9(14)3-5-10/h2-8H,14H2,1H3
InChIKey
OTUVOBPSJNLZGC-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-3-methylimidazo[4,5-c]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1011 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.108376 152.6
[M+Na]+ 263.090318 165.2
[M-H]- 239.093824 157.5
[M+NH4]+ 258.134923 169.1
[M+K]+ 279.064258 159.5
[M+H-H2O]+ 223.098360 143.7
[M+HCOO]- 285.099301 176.1
[M+CH3COO]- 299.114951 165.9
[M+Na-2H]- 261.075766 159.0
[M]+ 240.10055142 154.6
[M]- 240.10164858 154.6
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.