CID 15958112

Schembl14014888

Structural Information

Molecular Formula
C25H23N3O2
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)O)C4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H23N3O2/c29-25(30)22-16-27-28-23(20-9-5-2-6-10-20)21(15-26-24(22)28)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1,3-4,7-8,11-16,20H,2,5-6,9-10H2,(H,29,30)
InChIKey
SSNGHSQXJCNBLU-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

397.17902 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.186296 196.5
[M+Na]+ 420.168238 202.5
[M-H]- 396.171744 204.4
[M+NH4]+ 415.212843 204.1
[M+K]+ 436.142178 194.5
[M+H-H2O]+ 380.176280 183.9
[M+HCOO]- 442.177221 210.8
[M+CH3COO]- 456.192871 204.2
[M+Na-2H]- 418.153686 196.7
[M]+ 397.17847142 193.0
[M]- 397.17956858 193.0
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