CID 11630793

103188-46-1

Structural Information

Molecular Formula
C17H17NO4
SMILES
C1=CC(=CC=C1/C=C/C(=O)NCCC2=CC(=C(C=C2)O)O)O
InChI
InChI=1S/C17H17NO4/c19-14-5-1-12(2-6-14)4-8-17(22)18-10-9-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+
InChIKey
KZUJJPCTENPKOE-XBXARRHUSA-N
Compound name
(E)-N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

23
Patents

299.11575 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.123026 169.0
[M+Na]+ 322.104968 174.9
[M-H]- 298.108474 171.8
[M+NH4]+ 317.149573 181.7
[M+K]+ 338.078908 169.6
[M+H-H2O]+ 282.113010 161.5
[M+HCOO]- 344.113951 189.0
[M+CH3COO]- 358.129601 198.8
[M+Na-2H]- 320.090416 171.1
[M]+ 299.11520142 167.5
[M]- 299.11629858 167.5
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