CID 4774543

957489-92-8

Structural Information

Molecular Formula
C12H11N5O2
SMILES
CC1=C(C=NN1C)C2=CC=NC3=CC(=NN23)C(=O)O
InChI
InChI=1S/C12H11N5O2/c1-7-8(6-14-16(7)2)10-3-4-13-11-5-9(12(18)19)15-17(10)11/h3-6H,1-2H3,(H,18,19)
InChIKey
ZKGJXIZZNSDXSY-UHFFFAOYSA-N
Compound name
7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

257.09128 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09856 156.4
[M+Na]+ 280.08050 170.1
[M+NH4]+ 275.12510 162.0
[M+K]+ 296.05444 169.2
[M-H]- 256.08400 156.3
[M+Na-2H]- 278.06595 162.0
[M]+ 257.09073 158.1
[M]- 257.09183 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.