CID 12766252

2044722-64-5

Structural Information

Molecular Formula
C12H8N4O2
SMILES
C1=CC(=CN=C1)C2=CC=NC3=C(C=NN23)C(=O)O
InChI
InChI=1S/C12H8N4O2/c17-12(18)9-7-15-16-10(3-5-14-11(9)16)8-2-1-4-13-6-8/h1-7H,(H,17,18)
InChIKey
LVOBEKFMKUBUJU-UHFFFAOYSA-N
Compound name
7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

240.06473 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07201 150.7
[M+Na]+ 263.05395 161.8
[M-H]- 239.05745 152.9
[M+NH4]+ 258.09855 164.8
[M+K]+ 279.02789 156.9
[M+H-H2O]+ 223.06199 141.3
[M+HCOO]- 285.06293 170.4
[M+CH3COO]- 299.07858 162.9
[M+Na-2H]- 261.03940 158.0
[M]+ 240.06418 152.5
[M]- 240.06528 152.5
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