CID 121949

Mpdhip

Structural Information

Molecular Formula
C13H11N3O
SMILES
CC1=NC2=CN(C=CN2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C13H11N3O/c1-10-13(17)16-8-7-15(9-12(16)14-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
BWZMTZXTIFIVPT-UHFFFAOYSA-N
Compound name
2-methyl-7-phenylimidazo[1,2-a]pyrazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

0
Patents

225.09021 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.097486 148.8
[M+Na]+ 248.079428 160.3
[M-H]- 224.082934 153.4
[M+NH4]+ 243.124033 166.0
[M+K]+ 264.053368 155.3
[M+H-H2O]+ 208.087470 139.8
[M+HCOO]- 270.088411 170.5
[M+CH3COO]- 284.104061 162.0
[M+Na-2H]- 246.064876 155.3
[M]+ 225.08966142 150.5
[M]- 225.09075858 150.5
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

No patent data available for this compound.