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 160.8
[M+Na]+ 294.09615 174.3
[M+NH4]+ 289.14075 166.2
[M+K]+ 310.07009 173.2
[M-H]- 270.09965 160.7
[M+Na-2H]- 292.08160 166.1
[M]+ 271.10638 162.5
[M]- 271.10748 162.5
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

No patent data available for this compound.