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]+ 272.102976 160.8
[M+Na]+ 294.084918 168.9
[M-H]- 270.088424 163.2
[M+NH4]+ 289.129523 174.8
[M+K]+ 310.058858 164.5
[M+H-H2O]+ 254.092960 151.8
[M+HCOO]- 316.093901 177.3
[M+CH3COO]- 330.109551 171.4
[M+Na-2H]- 292.070366 163.4
[M]+ 271.09515142 159.6
[M]- 271.09624858 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.