PubChemLite - Amioxazole (C28H28N6O4S)

Structural Information

Molecular Formula

SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCN(C)C

InChI

InChI=1S/C28H28N6O4S/c1-18-17-25(32-38-18)33-39(36,37)20-13-11-19(12-14-20)30-26-21-7-4-5-10-24(21)31-27-22(26)8-6-9-23(27)28(35)29-15-16-34(2)3/h4-14,17H,15-16H2,1-3H3,(H,29,35)(H,30,31)(H,32,33)

InChIKey

MEPBXVRLHNVDKZ-UHFFFAOYSA-N

Compound name

N-[2-(dimethylamino)ethyl]-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxamide

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]+	545.19658	227.2
[M+Na]+	567.17852	233.2
[M-H]-	543.18202	238.4
[M+NH4]+	562.22312	231.3
[M+K]+	583.15246	229.4
[M+H-H2O]+	527.18656	216.5
[M+HCOO]-	589.18750	244.1
[M+CH3COO]-	603.20315	234.3
[M+Na-2H]-	565.16397	233.7
[M]+	544.18875	234.6
[M]-	544.18985	234.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

545.19658

227.2

[M+Na]+

567.17852

233.2

[M-H]-

543.18202

238.4

[M+NH4]+

562.22312

231.3

[M+K]+

583.15246

229.4

[M+H-H2O]+

527.18656

216.5

[M+HCOO]-

589.18750

244.1

[M+CH3COO]-

603.20315

234.3

[M+Na-2H]-

565.16397

233.7

[M]+

544.18875

234.6

[M]-

544.18985

234.6

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

Amioxazole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe