CID 8063491

3-(biphenyl-4-ylamino)-2-cyano-acrylic acid ethyl ester

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CCOC(=O)/C(=C/NC1=CC=C(C=C1)C2=CC=CC=C2)/C#N
InChI
InChI=1S/C18H16N2O2/c1-2-22-18(21)16(12-19)13-20-17-10-8-15(9-11-17)14-6-4-3-5-7-14/h3-11,13,20H,2H2,1H3/b16-13+
InChIKey
BEAYNHUNFJQNTI-DTQAZKPQSA-N
Compound name
ethyl (E)-2-cyano-3-(4-phenylanilino)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1212 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 175.6
[M+Na]+ 315.11042 183.1
[M-H]- 291.11392 180.2
[M+NH4]+ 310.15502 188.4
[M+K]+ 331.08436 177.2
[M+H-H2O]+ 275.11846 160.8
[M+HCOO]- 337.11940 194.5
[M+CH3COO]- 351.13505 213.9
[M+Na-2H]- 313.09587 177.6
[M]+ 292.12065 170.2
[M]- 292.12175 170.2
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.