CID 68677

Lm-22102 sodium salt

Structural Information

Molecular Formula
C23H18N2O2
SMILES
C1=CC=C(C=C1)C2=C(N(N=C2C3=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)23(18-12-6-2-7-13-18)24-25(20)19-14-8-3-9-15-19/h1-15H,16H2,(H,26,27)
InChIKey
LZRDDINFIHUVCX-UHFFFAOYSA-N
Compound name
2-(2,4,5-triphenylpyrazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3903
Patents

354.13684 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14412 184.8
[M+Na]+ 377.12606 191.8
[M-H]- 353.12956 193.9
[M+NH4]+ 372.17066 194.9
[M+K]+ 393.10000 184.7
[M+H-H2O]+ 337.13410 173.7
[M+HCOO]- 399.13504 204.7
[M+CH3COO]- 413.15069 194.6
[M+Na-2H]- 375.11151 186.2
[M]+ 354.13629 184.1
[M]- 354.13739 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

literature stripe

Patent stripe

patents stripe