CID 2853037

64433-38-1

Structural Information

Molecular Formula
C22H18N2O2
SMILES
C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4
InChI
InChI=1S/C22H18N2O2/c25-22(26)18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-14,21H,15H2,(H,25,26)
InChIKey
LRYRYLONUXSKTL-UHFFFAOYSA-N
Compound name
4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

342.13684 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14412 181.3
[M+Na]+ 365.12606 187.8
[M-H]- 341.12956 190.2
[M+NH4]+ 360.17066 191.8
[M+K]+ 381.10000 181.1
[M+H-H2O]+ 325.13410 170.3
[M+HCOO]- 387.13504 200.1
[M+CH3COO]- 401.15069 191.0
[M+Na-2H]- 363.11151 182.2
[M]+ 342.13629 178.9
[M]- 342.13739 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.