CID 2858243

7-oxo-5-phenyl-4h,7h-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

Structural Information

Molecular Formula
C12H8N4O3
SMILES
C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)N=C(N3)C(=O)O
InChI
InChI=1S/C12H8N4O3/c17-9-6-8(7-4-2-1-3-5-7)13-12-14-10(11(18)19)15-16(9)12/h1-6H,(H,18,19)(H,13,14,15)
InChIKey
NRMOOPDXYOLKQV-UHFFFAOYSA-N
Compound name
7-oxo-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.05963 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06691 154.3
[M+Na]+ 279.04885 168.8
[M+NH4]+ 274.09345 159.8
[M+K]+ 295.02279 165.7
[M-H]- 255.05235 154.5
[M+Na-2H]- 277.03430 161.1
[M]+ 256.05908 156.2
[M]- 256.06018 156.2
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.