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

9
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 172.9
[M+Na]+ 329.15842 176.3
[M-H]- 305.16192 175.0
[M+NH4]+ 324.20302 185.9
[M+K]+ 345.13236 173.5
[M+H-H2O]+ 289.16646 164.4
[M+HCOO]- 351.16740 197.4
[M+CH3COO]- 365.18305 214.9
[M+Na-2H]- 327.14387 173.2
[M]+ 306.16865 171.2
[M]- 306.16975 171.2
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.