CID 54727985

(2z)-2-cyano-n-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CCOC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)/C(=C(/C)\O)/C#N
InChI
InChI=1S/C19H18N2O3/c1-3-24-17-6-4-5-15(11-17)14-7-9-16(10-8-14)21-19(23)18(12-20)13(2)22/h4-11,22H,3H2,1-2H3,(H,21,23)/b18-13-
InChIKey
RPILZQUCBKIPAZ-AQTBWJFISA-N
Compound name
(Z)-2-cyano-N-[4-(3-ethoxyphenyl)phenyl]-3-hydroxybut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

322.13174 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13902 183.8
[M+Na]+ 345.12096 190.8
[M-H]- 321.12446 187.4
[M+NH4]+ 340.16556 194.9
[M+K]+ 361.09490 185.5
[M+H-H2O]+ 305.12900 169.2
[M+HCOO]- 367.12994 200.3
[M+CH3COO]- 381.14559 218.3
[M+Na-2H]- 343.10641 183.1
[M]+ 322.13119 178.1
[M]- 322.13229 178.1
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.