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

13
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 176.4
[M+Na]+ 338.11514 191.4
[M+NH4]+ 333.15974 184.6
[M+K]+ 354.08908 182.5
[M-H]- 314.11864 183.5
[M+Na-2H]- 336.10059 188.0
[M]+ 315.12537 180.6
[M]- 315.12647 180.6
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