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]+ 366.18123 188.3
[M+Na]+ 388.16317 195.8
[M-H]- 364.16667 194.0
[M+NH4]+ 383.20777 198.4
[M+K]+ 404.13711 190.0
[M+H-H2O]+ 348.17121 177.6
[M+HCOO]- 410.17215 203.3
[M+CH3COO]- 424.18780 197.3
[M+Na-2H]- 386.14862 187.9
[M]+ 365.17340 188.3
[M]- 365.17450 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