PubChemLite - Phenanilmethoxazole (C29H22N4O3S)

Structural Information

Molecular Formula

SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N=C3C4=CC=CC=C4N(C5=CC=CC=C53)C6=CC=CC=C6

InChI

InChI=1S/C29H22N4O3S/c1-20-19-28(31-36-20)32-37(34,35)23-17-15-21(16-18-23)30-29-24-11-5-7-13-26(24)33(22-9-3-2-4-10-22)27-14-8-6-12-25(27)29/h2-19H,1H3,(H,31,32)

InChIKey

SYULZZLZHQVKQM-UHFFFAOYSA-N

Compound name

N-(5-methyl-1,2-oxazol-3-yl)-4-[(10-phenylacridin-9-ylidene)amino]benzenesulfonamide

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]+	507.14855	221.6
[M+Na]+	529.13049	232.0
[M-H]-	505.13399	236.1
[M+NH4]+	524.17509	227.8
[M+K]+	545.10443	225.1
[M+H-H2O]+	489.13853	210.1
[M+HCOO]-	551.13947	239.2
[M+CH3COO]-	565.15512	230.5
[M+Na-2H]-	527.11594	228.2
[M]+	506.14072	227.4
[M]-	506.14182	227.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.14855

221.6

[M+Na]+

529.13049

232.0

[M-H]-

505.13399

236.1

[M+NH4]+

524.17509

227.8

[M+K]+

545.10443

225.1

[M+H-H2O]+

489.13853

210.1

[M+HCOO]-

551.13947

239.2

[M+CH3COO]-

565.15512

230.5

[M+Na-2H]-

527.11594

228.2

[M]+

506.14072

227.4

[M]-

506.14182

227.4

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

Phenanilmethoxazole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe