CID 6538174

2-propenoic acid, 3-[4-(diphenylamino)phenyl]-

Structural Information

Molecular Formula
C21H17NO2
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)/C=C/C(=O)O
InChI
InChI=1S/C21H17NO2/c23-21(24)16-13-17-11-14-20(15-12-17)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16H,(H,23,24)/b16-13+
InChIKey
TUXUJVDBDXGHMS-DTQAZKPQSA-N
Compound name
(E)-3-[4-(N-phenylanilino)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

315.12592 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13320 174.9
[M+Na]+ 338.11514 179.6
[M-H]- 314.11864 183.9
[M+NH4]+ 333.15974 187.7
[M+K]+ 354.08908 174.4
[M+H-H2O]+ 298.12318 165.2
[M+HCOO]- 360.12412 197.9
[M+CH3COO]- 374.13977 208.6
[M+Na-2H]- 336.10059 178.9
[M]+ 315.12537 173.3
[M]- 315.12647 173.3
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