PubChemLite - Terrestribisamide (C24H28N2O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H28N2O6/c1-31-21-15-17(5-9-19(21)27)7-11-23(29)25-13-3-4-14-26-24(30)12-8-18-6-10-20(28)22(16-18)32-2/h5-12,15-16,27-28H,3-4,13-14H2,1-2H3,(H,25,29)(H,26,30)/b11-7+,12-8+

InChIKey

CHEMZHJQHCVLFI-MKICQXMISA-N

Compound name

(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[4-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]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]+	441.20201	208.7
[M+Na]+	463.18395	216.8
[M+NH4]+	458.22855	210.9
[M+K]+	479.15789	211.5
[M-H]-	439.18745	209.5
[M+Na-2H]-	461.16940	211.1
[M]+	440.19418	209.4
[M]-	440.19528	209.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.20201

208.7

[M+Na]+

463.18395

216.8

[M+NH4]+

458.22855

210.9

[M+K]+

479.15789

211.5

[M-H]-

439.18745

209.5

[M+Na-2H]-

461.16940

211.1

[M]+

440.19418

209.4

[M]-

440.19528

209.4

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

Terrestribisamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe