CID 117082

Methyl 4-(diphenylamino)hydrocinnamate

Structural Information

Molecular Formula
C22H21NO2
SMILES
COC(=O)CCC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H21NO2/c1-25-22(24)17-14-18-12-15-21(16-13-18)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,15-16H,14,17H2,1H3
InChIKey
WHZLMSDQPQRIHQ-UHFFFAOYSA-N
Compound name
methyl 3-[4-(N-phenylanilino)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

331.15723 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16451 181.3
[M+Na]+ 354.14645 196.6
[M+NH4]+ 349.19105 190.0
[M+K]+ 370.12039 187.3
[M-H]- 330.14995 189.2
[M+Na-2H]- 352.13190 193.4
[M]+ 331.15668 185.9
[M]- 331.15778 185.9
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