CID 16119330

Feruloyldopamine

Structural Information

Molecular Formula
C18H19NO5
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)NCCC2=CC(=C(C=C2)O)O)O
InChI
InChI=1S/C18H19NO5/c1-24-17-11-12(3-6-15(17)21)4-7-18(23)19-9-8-13-2-5-14(20)16(22)10-13/h2-7,10-11,20-22H,8-9H2,1H3,(H,19,23)/b7-4+
InChIKey
ZRLYUFOWFPPSTD-QPJJXVBHSA-N
Compound name
(E)-N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

117
Patents

329.1263 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.133576 176.2
[M+Na]+ 352.115518 182.3
[M-H]- 328.119024 179.1
[M+NH4]+ 347.160123 187.8
[M+K]+ 368.089458 177.6
[M+H-H2O]+ 312.123560 168.3
[M+HCOO]- 374.124501 196.0
[M+CH3COO]- 388.140151 205.4
[M+Na-2H]- 350.100966 177.1
[M]+ 329.12575142 176.9
[M]- 329.12684858 176.9
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