CID 15958141

Schembl4707198

Structural Information

Molecular Formula
C20H21N3O2S
SMILES
CSC1=CC=C(C=C1)C2=C(N3C(=C(C=N3)C(=O)O)N=C2)C4CCCCC4
InChI
InChI=1S/C20H21N3O2S/c1-26-15-9-7-13(8-10-15)16-11-21-19-17(20(24)25)12-22-23(19)18(16)14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H,24,25)
InChIKey
OZQMKNSLSGJQTE-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(4-methylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

367.13544 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14272 186.1
[M+Na]+ 390.12466 194.2
[M-H]- 366.12816 191.7
[M+NH4]+ 385.16926 197.0
[M+K]+ 406.09860 187.3
[M+H-H2O]+ 350.13270 176.8
[M+HCOO]- 412.13364 196.9
[M+CH3COO]- 426.14929 195.0
[M+Na-2H]- 388.11011 184.8
[M]+ 367.13489 186.7
[M]- 367.13599 186.7
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

patents stripe