CID 5328775

Ag 556

Structural Information

Molecular Formula
C20H20N2O3
SMILES
C1=CC=C(C=C1)CCCCNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N
InChI
InChI=1S/C20H20N2O3/c21-14-17(12-16-9-10-18(23)19(24)13-16)20(25)22-11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,23-24H,4-5,8,11H2,(H,22,25)/b17-12+
InChIKey
GWCNJMUSWLTSCW-SFQUDFHCSA-N
Compound name
(E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

40
References

1938
Patents

336.1474 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15468 187.6
[M+Na]+ 359.13662 194.0
[M-H]- 335.14012 189.8
[M+NH4]+ 354.18122 197.7
[M+K]+ 375.11056 187.3
[M+H-H2O]+ 319.14466 173.0
[M+HCOO]- 381.14560 203.4
[M+CH3COO]- 395.16125 218.0
[M+Na-2H]- 357.12207 187.2
[M]+ 336.14685 181.1
[M]- 336.14795 181.1
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.