CID 5328770

133550-34-2

Structural Information

Molecular Formula
C19H18N2O3
SMILES
C1=CC=C(C=C1)CCCNC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N
InChI
InChI=1S/C19H18N2O3/c20-13-16(11-15-8-9-17(22)18(23)12-15)19(24)21-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,22-23H,4,7,10H2,(H,21,24)/b16-11+
InChIKey
GSQOBTOAOGXIFL-LFIBNONCSA-N
Compound name
(E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

52
References

2085
Patents

322.13174 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13902 183.8
[M+Na]+ 345.12096 190.6
[M-H]- 321.12446 186.2
[M+NH4]+ 340.16556 194.4
[M+K]+ 361.09490 184.1
[M+H-H2O]+ 305.12900 169.4
[M+HCOO]- 367.12994 199.9
[M+CH3COO]- 381.14559 215.4
[M+Na-2H]- 343.10641 183.8
[M]+ 322.13119 177.0
[M]- 322.13229 177.0
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