CID 5281796

Feruloylputrescine

Structural Information

Molecular Formula
C14H20N2O3
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)NCCCCN)O
InChI
InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+
InChIKey
SFUVCMKSYKHYLD-FNORWQNLSA-N
Compound name
(E)-N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

63
Patents

264.1474 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 162.5
[M+Na]+ 287.136618 167.7
[M-H]- 263.140124 163.9
[M+NH4]+ 282.181223 177.8
[M+K]+ 303.110558 164.2
[M+H-H2O]+ 247.144660 155.3
[M+HCOO]- 309.145601 185.3
[M+CH3COO]- 323.161251 199.7
[M+Na-2H]- 285.122066 164.4
[M]+ 264.14685142 162.6
[M]- 264.14794858 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.