PubChemLite - N1,n10-bis(p-coumaroyl)spermidine (C25H31N3O4)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/C2=CC=C(C=C2)O)O

InChI

InChI=1S/C25H31N3O4/c29-22-10-4-20(5-11-22)8-14-24(31)27-18-2-1-16-26-17-3-19-28-25(32)15-9-21-6-12-23(30)13-7-21/h4-15,26,29-30H,1-3,16-19H2,(H,27,31)(H,28,32)/b14-8+,15-9+

InChIKey

QYBCBMVQSCJMSA-VOMDNODZSA-N

Compound name

(E)-3-(4-hydroxyphenyl)-N-[4-[3-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]propylamino]butyl]prop-2-enamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	438.23873	211.3
[M+Na]+	460.22067	218.1
[M+NH4]+	455.26527	214.0
[M+K]+	476.19461	211.5
[M-H]-	436.22417	213.2
[M+Na-2H]-	458.20612	214.4
[M]+	437.23090	212.0
[M]-	437.23200	212.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

438.23873

211.3

[M+Na]+

460.22067

218.1

[M+NH4]+

455.26527

214.0

[M+K]+

476.19461

211.5

[M-H]-

436.22417

213.2

[M+Na-2H]-

458.20612

214.4

[M]+

437.23090

212.0

[M]-

437.23200

212.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N1,n10-bis(p-coumaroyl)spermidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe