PubChemLite - Coumaramido ferulamidobutane (C23H26N2O5)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NCCCCNC(=O)/C=C/C2=CC=C(C=C2)O)O

InChI

InChI=1S/C23H26N2O5/c1-30-21-16-18(6-11-20(21)27)8-13-23(29)25-15-3-2-14-24-22(28)12-7-17-4-9-19(26)10-5-17/h4-13,16,26-27H,2-3,14-15H2,1H3,(H,24,28)(H,25,29)/b12-7+,13-8+

InChIKey

PQBWZZGYZJAFTD-INOXDZRUSA-N

Compound name

(E)-N-[4-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]butyl]-3-(4-hydroxyphenyl)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]+	411.19145	201.8
[M+Na]+	433.17339	210.3
[M+NH4]+	428.21799	204.8
[M+K]+	449.14733	204.4
[M-H]-	409.17689	203.1
[M+Na-2H]-	431.15884	205.1
[M]+	410.18362	202.7
[M]-	410.18472	202.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.19145

201.8

[M+Na]+

433.17339

210.3

[M+NH4]+

428.21799

204.8

[M+K]+

449.14733

204.4

[M-H]-

409.17689

203.1

[M+Na-2H]-

431.15884

205.1

[M]+

410.18362

202.7

[M]-

410.18472

202.7

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

Coumaramido ferulamidobutane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe