CID 15958154

Schembl14014959

Structural Information

Molecular Formula
C21H23N3O3
SMILES
CC1=C(C=CC(=C1)OC)C2=C(N3C(=C(C=N3)C(=O)O)N=C2)C4CCCCC4
InChI
InChI=1S/C21H23N3O3/c1-13-10-15(27-2)8-9-16(13)17-11-22-20-18(21(25)26)12-23-24(20)19(17)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H,25,26)
InChIKey
SQWALLRTDRQDEC-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(4-methoxy-2-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

365.17395 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.181226 188.3
[M+Na]+ 388.163168 195.8
[M-H]- 364.166674 194.0
[M+NH4]+ 383.207773 198.4
[M+K]+ 404.137108 190.0
[M+H-H2O]+ 348.171210 177.6
[M+HCOO]- 410.172151 203.3
[M+CH3COO]- 424.187801 197.3
[M+Na-2H]- 386.148616 187.9
[M]+ 365.17340142 188.3
[M]- 365.17449858 188.3
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