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]+ 246.123696 154.5
[M+Na]+ 268.105638 162.1
[M-H]- 244.109144 156.7
[M+NH4]+ 263.150243 169.6
[M+K]+ 284.079578 157.8
[M+H-H2O]+ 228.113680 145.5
[M+HCOO]- 290.114621 171.0
[M+CH3COO]- 304.130271 165.4
[M+Na-2H]- 266.091086 158.2
[M]+ 245.11587142 151.9
[M]- 245.11696858 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

patents stripe