CID 76849717

5-methylimidazo[1,2-a]pyrimidin-7(8h)-one

Structural Information

Molecular Formula
C7H7N3O
SMILES
CC1=CC(=O)NC2=NC=CN12
InChI
InChI=1S/C7H7N3O/c1-5-4-6(11)9-7-8-2-3-10(5)7/h2-4H,1H3,(H,8,9,11)
InChIKey
GVWALDUEYDNXOO-UHFFFAOYSA-N
Compound name
5-methyl-8H-imidazo[1,2-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.05891 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 126.5
[M+Na]+ 172.04813 139.0
[M-H]- 148.05163 126.9
[M+NH4]+ 167.09273 146.5
[M+K]+ 188.02207 135.3
[M+H-H2O]+ 132.05617 119.6
[M+HCOO]- 194.05711 148.8
[M+CH3COO]- 208.07276 141.0
[M+Na-2H]- 170.03358 135.3
[M]+ 149.05836 127.9
[M]- 149.05946 127.9
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.