51896-17-4 (C24H28N4O4)

Structural Information

Molecular Formula

SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)N(C)C)/C(=O)N3CCOCC3

InChI

InChI=1S/C24H28N4O4/c1-17(29)25-20-8-6-19(7-9-20)23(30)26-22(24(31)28-12-14-32-15-13-28)16-18-4-10-21(11-5-18)27(2)3/h4-11,16H,12-15H2,1-3H3,(H,25,29)(H,26,30)/b22-16+

InChIKey

SMSOUILAYCVAAH-CJLVFECKSA-N

Compound name

4-acetamido-N-[(E)-1-[4-(dimethylamino)phenyl]-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide

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]+	437.218336	207.6
[M+Na]+	459.200278	207.2
[M-H]-	435.203784	216.1
[M+NH4]+	454.244883	212.5
[M+K]+	475.174218	206.0
[M+H-H2O]+	419.208320	196.0
[M+HCOO]-	481.209261	224.4
[M+CH3COO]-	495.224911	239.3
[M+Na-2H]-	457.185726	205.8
[M]+	436.21051142	204.4
[M]-	436.21160858	204.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.218336

207.6

[M+Na]+

459.200278

207.2

[M-H]-

435.203784

216.1

[M+NH4]+

454.244883

212.5

[M+K]+

475.174218

206.0

[M+H-H2O]+

419.208320

196.0

[M+HCOO]-

481.209261

224.4

[M+CH3COO]-

495.224911

239.3

[M+Na-2H]-

457.185726

205.8

[M]+

436.21051142

204.4

[M]-

436.21160858

204.4

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

51896-17-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe