CID 7017540

1001500-35-1

Structural Information

Molecular Formula
C13H13N5O2
SMILES
CCN1C=C(C(=N1)C)C2=CC=NC3=C(C=NN23)C(=O)O
InChI
InChI=1S/C13H13N5O2/c1-3-17-7-10(8(2)16-17)11-4-5-14-12-9(13(19)20)6-15-18(11)12/h4-7H,3H2,1-2H3,(H,19,20)
InChIKey
ABCXBYGZFPVCHZ-UHFFFAOYSA-N
Compound name
7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.10693 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11421 161.5
[M+Na]+ 294.09615 173.6
[M-H]- 270.09965 163.5
[M+NH4]+ 289.14075 175.4
[M+K]+ 310.07009 169.0
[M+H-H2O]+ 254.10419 152.4
[M+HCOO]- 316.10513 180.4
[M+CH3COO]- 330.12078 173.3
[M+Na-2H]- 292.08160 163.5
[M]+ 271.10638 165.9
[M]- 271.10748 165.9
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

No patent data available for this compound.