CID 129626306

Brn 5053593

Structural Information

Molecular Formula
C11H9N5O
SMILES
CN1C2=C(C=CN=C2)N(C1=O)C3=NC=CN=C3
InChI
InChI=1S/C11H9N5O/c1-15-9-6-12-3-2-8(9)16(11(15)17)10-7-13-4-5-14-10/h2-7H,1H3
InChIKey
ALJYWRMEMCDYIV-UHFFFAOYSA-N
Compound name
3-methyl-1-pyrazin-2-ylimidazo[4,5-c]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0807 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08798 149.4
[M+Na]+ 250.06992 162.8
[M-H]- 226.07342 151.8
[M+NH4]+ 245.11452 163.7
[M+K]+ 266.04386 157.3
[M+H-H2O]+ 210.07796 139.2
[M+HCOO]- 272.07890 170.1
[M+CH3COO]- 286.09455 162.3
[M+Na-2H]- 248.05537 157.5
[M]+ 227.08015 152.7
[M]- 227.08125 152.7
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.