CID 9840439

2-[4-[(e)-2-(2-methylphenyl)ethenyl]anilino]benzoic acid

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

0
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]+ 330.14885 179.4
[M+Na]+ 352.13079 185.4
[M-H]- 328.13429 187.6
[M+NH4]+ 347.17539 191.7
[M+K]+ 368.10473 178.8
[M+H-H2O]+ 312.13883 170.0
[M+HCOO]- 374.13977 201.5
[M+CH3COO]- 388.15542 210.7
[M+Na-2H]- 350.11624 182.1
[M]+ 329.14102 177.8
[M]- 329.14212 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.