CID 135429688

Schembl14015125

Structural Information

Molecular Formula
C13H9N3O3
SMILES
C1=CC=C(C=C1)C2=CC(=O)NC3=C(C=NN23)C(=O)O
InChI
InChI=1S/C13H9N3O3/c17-11-6-10(8-4-2-1-3-5-8)16-12(15-11)9(7-14-16)13(18)19/h1-7H,(H,15,17)(H,18,19)
InChIKey
RLQZHPGWSNZCOU-UHFFFAOYSA-N
Compound name
5-oxo-7-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

255.06439 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07167 153.7
[M+Na]+ 278.05361 164.9
[M-H]- 254.05711 156.2
[M+NH4]+ 273.09821 168.0
[M+K]+ 294.02755 159.2
[M+H-H2O]+ 238.06165 145.3
[M+HCOO]- 300.06259 173.3
[M+CH3COO]- 314.07824 165.7
[M+Na-2H]- 276.03906 159.4
[M]+ 255.06384 154.7
[M]- 255.06494 154.7
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

patents stripe