CID 3084566

Trifezolac

Structural Information

Molecular Formula
C23H18N2O2
SMILES
C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)O
InChI
InChI=1S/C23H18N2O2/c26-21(27)16-20-22(17-10-4-1-5-11-17)24-25(19-14-8-3-9-15-19)23(20)18-12-6-2-7-13-18/h1-15H,16H2,(H,26,27)
InChIKey
YBPNJBYPFNTZIW-UHFFFAOYSA-N
Compound name
2-(1,3,5-triphenylpyrazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

52
Patents

354.13684 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.144116 184.8
[M+Na]+ 377.126058 191.8
[M-H]- 353.129564 193.9
[M+NH4]+ 372.170663 194.9
[M+K]+ 393.099998 184.7
[M+H-H2O]+ 337.134100 173.7
[M+HCOO]- 399.135041 204.7
[M+CH3COO]- 413.150691 194.6
[M+Na-2H]- 375.111506 186.2
[M]+ 354.13629142 184.1
[M]- 354.13738858 184.1
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