CID 14283063

N1-feruloylspermidine

Structural Information

Molecular Formula
C17H27N3O3
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)NCCCCNCCCN)O
InChI
InChI=1S/C17H27N3O3/c1-23-16-13-14(5-7-15(16)21)6-8-17(22)20-12-3-2-10-19-11-4-9-18/h5-8,13,19,21H,2-4,9-12,18H2,1H3,(H,20,22)/b8-6+
InChIKey
NABYCXSHQMCCEZ-SOFGYWHQSA-N
Compound name
(E)-N-[4-(3-aminopropylamino)butyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

321.20523 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.212506 178.4
[M+Na]+ 344.194448 181.3
[M-H]- 320.197954 179.1
[M+NH4]+ 339.239053 190.8
[M+K]+ 360.168388 177.3
[M+H-H2O]+ 304.202490 170.0
[M+HCOO]- 366.203431 201.1
[M+CH3COO]- 380.219081 214.1
[M+Na-2H]- 342.179896 179.2
[M]+ 321.20468142 178.7
[M]- 321.20577858 178.7
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.