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]+ 258.098556 157.1
[M+Na]+ 280.080498 169.7
[M-H]- 256.084004 159.2
[M+NH4]+ 275.125103 171.6
[M+K]+ 296.054438 165.3
[M+H-H2O]+ 240.088540 148.2
[M+HCOO]- 302.089481 176.3
[M+CH3COO]- 316.105131 169.3
[M+Na-2H]- 278.065946 159.6
[M]+ 257.09073142 161.2
[M]- 257.09182858 161.2
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.