CID 9840439

Rx-465

Structural Information

Molecular Formula
C22H19NO2
SMILES
CC1=CC=CC=C1/C=C/C2=CC=C(C=C2)NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C22H19NO2/c1-16-6-2-3-7-18(16)13-10-17-11-14-19(15-12-17)23-21-9-5-4-8-20(21)22(24)25/h2-15,23H,1H3,(H,24,25)/b13-10+
InChIKey
FUJSSIRYCZLXQW-JLHYYAGUSA-N
Compound name
2-[4-[(E)-2-(2-methylphenyl)ethenyl]anilino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

329.14157 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.148846 179.4
[M+Na]+ 352.130788 185.4
[M-H]- 328.134294 187.6
[M+NH4]+ 347.175393 191.7
[M+K]+ 368.104728 178.8
[M+H-H2O]+ 312.138830 170.0
[M+HCOO]- 374.139771 201.5
[M+CH3COO]- 388.155421 210.7
[M+Na-2H]- 350.116236 182.1
[M]+ 329.14102142 177.8
[M]- 329.14211858 177.8
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.