CID 129626304

Brn 5033109

Structural Information

Molecular Formula
C13H11N3O
SMILES
CN1C2=C(C=CN=C2)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C13H11N3O/c1-15-12-9-14-8-7-11(12)16(13(15)17)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey
NWFKDGDFSLURCE-UHFFFAOYSA-N
Compound name
3-methyl-1-phenylimidazo[4,5-c]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09021 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09749 147.8
[M+Na]+ 248.07943 164.9
[M+NH4]+ 243.12403 156.3
[M+K]+ 264.05337 158.7
[M-H]- 224.08293 151.3
[M+Na-2H]- 246.06488 157.5
[M]+ 225.08966 151.3
[M]- 225.09076 151.3
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.