CID 86820410

1623079-16-2

Structural Information

Molecular Formula
C14H13N3O3
SMILES
C1CN(C(=O)C2=C(N=CN21)C3=CC=CC=C3)CC(=O)O
InChI
InChI=1S/C14H13N3O3/c18-11(19)8-16-6-7-17-9-15-12(13(17)14(16)20)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,18,19)
InChIKey
FRZIBXXGSCPGAC-UHFFFAOYSA-N
Compound name
2-(8-oxo-1-phenyl-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0957 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10298 160.8
[M+Na]+ 294.08492 168.9
[M-H]- 270.08842 163.2
[M+NH4]+ 289.12952 174.8
[M+K]+ 310.05886 164.5
[M+H-H2O]+ 254.09296 151.8
[M+HCOO]- 316.09390 177.3
[M+CH3COO]- 330.10955 171.4
[M+Na-2H]- 292.07037 163.4
[M]+ 271.09515 159.6
[M]- 271.09625 159.6
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.