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

No literature data available for this compound.

Patent stripe

patents stripe