CID 6450293

42481-45-8

Structural Information

Molecular Formula
C24H20N2O2
SMILES
CCOC(=O)/C(=C/C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3)/C#N
InChI
InChI=1S/C24H20N2O2/c1-2-28-24(27)20(18-25)17-19-13-15-23(16-14-19)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-17H,2H2,1H3/b20-17+
InChIKey
WIEVWZIZTXQYAR-LVZFUZTISA-N
Compound name
ethyl (E)-2-cyano-3-[4-(N-phenylanilino)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.15247 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15975 199.0
[M+Na]+ 391.14169 205.5
[M-H]- 367.14519 206.2
[M+NH4]+ 386.18629 208.6
[M+K]+ 407.11563 198.0
[M+H-H2O]+ 351.14973 182.1
[M+HCOO]- 413.15067 217.2
[M+CH3COO]- 427.16632 229.2
[M+Na-2H]- 389.12714 199.2
[M]+ 368.15192 193.7
[M]- 368.15302 193.7
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.