CID 14840979

132465-11-3

Structural Information

Molecular Formula
C19H15NO4
SMILES
C1=CC=C(C=C1)/C=C/COC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N
InChI
InChI=1S/C19H15NO4/c20-13-16(11-15-8-9-17(21)18(22)12-15)19(23)24-10-4-7-14-5-2-1-3-6-14/h1-9,11-12,21-22H,10H2/b7-4+,16-11+
InChIKey
XGHYFEJMJXGPGN-UYHGDYIZSA-N
Compound name
[(E)-3-phenylprop-2-enyl] (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

44
Patents

321.1001 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10738 182.0
[M+Na]+ 344.08932 190.0
[M-H]- 320.09282 184.6
[M+NH4]+ 339.13392 192.9
[M+K]+ 360.06326 183.3
[M+H-H2O]+ 304.09736 167.8
[M+HCOO]- 366.09830 197.6
[M+CH3COO]- 380.11395 211.4
[M+Na-2H]- 342.07477 181.7
[M]+ 321.09955 176.4
[M]- 321.10065 176.4
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