CID 15958071

Schembl4707335

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CC1=C(N2C(=C(C=N2)C(=O)O)N=C1)C3CCCCC3
InChI
InChI=1S/C14H17N3O2/c1-9-7-15-13-11(14(18)19)8-16-17(13)12(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,18,19)
InChIKey
OYYMMOKBRAVBNP-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

259.13208 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 159.5
[M+Na]+ 282.12130 167.5
[M-H]- 258.12480 161.9
[M+NH4]+ 277.16590 174.3
[M+K]+ 298.09524 163.1
[M+H-H2O]+ 242.12934 150.6
[M+HCOO]- 304.13028 175.6
[M+CH3COO]- 318.14593 170.2
[M+Na-2H]- 280.10675 161.9
[M]+ 259.13153 157.7
[M]- 259.13263 157.7
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.