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]+ 343.144116 181.3
[M+Na]+ 365.126058 187.8
[M-H]- 341.129564 190.2
[M+NH4]+ 360.170663 191.8
[M+K]+ 381.099998 181.1
[M+H-H2O]+ 325.134100 170.3
[M+HCOO]- 387.135041 200.1
[M+CH3COO]- 401.150691 191.0
[M+Na-2H]- 363.111506 182.2
[M]+ 342.13629142 178.9
[M]- 342.13738858 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.