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

literature stripe

Patent stripe

patents stripe