CID 46173376

Feruloylagmatine

Structural Information

Molecular Formula
C15H22N4O3
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)NCCCCN=C(N)N)O
InChI
InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+
InChIKey
UBMDAKWARMURDL-FNORWQNLSA-N
Compound name
(E)-N-[4-(diaminomethylideneamino)butyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

11
Patents

306.1692 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.17648 174.3
[M+Na]+ 329.15842 179.9
[M+NH4]+ 324.20302 178.1
[M+K]+ 345.13236 175.8
[M-H]- 305.16192 175.2
[M+Na-2H]- 327.14387 176.1
[M]+ 306.16865 174.5
[M]- 306.16975 174.5
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