CID 15958272

632365-49-2

Structural Information

Molecular Formula
C13H8ClN3O3
SMILES
C1=CC=C(C(=C1)C2=CC(=O)N3C(=N2)C(=CN3)C(=O)O)Cl
InChI
InChI=1S/C13H8ClN3O3/c14-9-4-2-1-3-7(9)10-5-11(18)17-12(16-10)8(6-15-17)13(19)20/h1-6,15H,(H,19,20)
InChIKey
RHHDNNAZUXUZOL-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

289.02542 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.03270 159.4
[M+Na]+ 312.01464 172.1
[M-H]- 288.01814 162.1
[M+NH4]+ 307.05924 173.5
[M+K]+ 327.98858 165.1
[M+H-H2O]+ 272.02268 151.6
[M+HCOO]- 334.02362 174.3
[M+CH3COO]- 348.03927 171.4
[M+Na-2H]- 310.00009 163.9
[M]+ 289.02487 162.9
[M]- 289.02597 162.9
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