CID 92339985

Trans-n-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-ALCCZGGFSA-N
Compound name
(Z)-N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

69
Patents

264.1474 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 162.5
[M+Na]+ 287.13662 167.7
[M-H]- 263.14012 163.9
[M+NH4]+ 282.18122 177.8
[M+K]+ 303.11056 164.2
[M+H-H2O]+ 247.14466 155.3
[M+HCOO]- 309.14560 185.3
[M+CH3COO]- 323.16125 199.7
[M+Na-2H]- 285.12207 164.4
[M]+ 264.14685 162.6
[M]- 264.14795 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

literature stripe

Patent stripe

patents stripe