CID 15958163

7-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Structural Information

Molecular Formula
C13H15N3O2
SMILES
C1CCC(CC1)C2=CC=NC3=C(C=NN23)C(=O)O
InChI
InChI=1S/C13H15N3O2/c17-13(18)10-8-15-16-11(6-7-14-12(10)16)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,17,18)
InChIKey
QWGYVNDIJFEBDI-UHFFFAOYSA-N
Compound name
7-cyclohexylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

245.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 154.5
[M+Na]+ 268.10564 162.1
[M-H]- 244.10914 156.7
[M+NH4]+ 263.15024 169.6
[M+K]+ 284.07958 157.8
[M+H-H2O]+ 228.11368 145.5
[M+HCOO]- 290.11462 171.0
[M+CH3COO]- 304.13027 165.4
[M+Na-2H]- 266.09109 158.2
[M]+ 245.11587 151.9
[M]- 245.11697 151.9
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.