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]+ 398.18630 196.5
[M+Na]+ 420.16824 202.5
[M-H]- 396.17174 204.4
[M+NH4]+ 415.21284 204.1
[M+K]+ 436.14218 194.5
[M+H-H2O]+ 380.17628 183.9
[M+HCOO]- 442.17722 210.8
[M+CH3COO]- 456.19287 204.2
[M+Na-2H]- 418.15369 196.7
[M]+ 397.17847 193.0
[M]- 397.17957 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