CID 5328771

133550-35-3

Structural Information

Molecular Formula
C16H12N2O3
SMILES
C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)O)O)/C#N
InChI
InChI=1S/C16H12N2O3/c17-10-12(8-11-6-7-14(19)15(20)9-11)16(21)18-13-4-2-1-3-5-13/h1-9,19-20H,(H,18,21)/b12-8+
InChIKey
HKHOVJYOELRGMV-XYOKQWHBSA-N
Compound name
(E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

180
Patents

280.08478 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09206 168.1
[M+Na]+ 303.07400 179.0
[M+NH4]+ 298.11860 170.8
[M+K]+ 319.04794 170.1
[M-H]- 279.07750 163.2
[M+Na-2H]- 301.05945 171.5
[M]+ 280.08423 167.2
[M]- 280.08533 167.2
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