PubChemLite - Phenaniloxazole (C30H24N4O3S)

Structural Information

Molecular Formula

SMILES

CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N=C3C4=CC=CC=C4N(C5=CC=CC=C53)C6=CC=CC=C6

InChI

InChI=1S/C30H24N4O3S/c1-20-21(2)32-37-30(20)33-38(35,36)24-18-16-22(17-19-24)31-29-25-12-6-8-14-27(25)34(23-10-4-3-5-11-23)28-15-9-7-13-26(28)29/h3-19,33H,1-2H3

InChIKey

OGQWVLKLKDRSJR-UHFFFAOYSA-N

Compound name

N-(3,4-dimethyl-1,2-oxazol-5-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]+	521.16418	227.6
[M+Na]+	543.14612	238.1
[M-H]-	519.14962	242.2
[M+NH4]+	538.19072	233.4
[M+K]+	559.12006	231.2
[M+H-H2O]+	503.15416	215.9
[M+HCOO]-	565.15510	244.7
[M+CH3COO]-	579.17075	236.2
[M+Na-2H]-	541.13157	232.8
[M]+	520.15635	234.0
[M]-	520.15745	234.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

521.16418

227.6

[M+Na]+

543.14612

238.1

[M-H]-

519.14962

242.2

[M+NH4]+

538.19072

233.4

[M+K]+

559.12006

231.2

[M+H-H2O]+

503.15416

215.9

[M+HCOO]-

565.15510

244.7

[M+CH3COO]-

579.17075

236.2

[M+Na-2H]-

541.13157

232.8

[M]+

520.15635

234.0

[M]-

520.15745

234.0

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

Phenaniloxazole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe