CID 2320735

Psb-12062

Structural Information

Molecular Formula

C₁₉H₁₅NO₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3OC4=CC=CC=C42

InChI

InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3

InChIKey

DHZNMEIBMACSFH-UHFFFAOYSA-N

Compound name

10-(4-methylphenyl)sulfonylphenoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 16
Patents: 337.07727 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

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]+	338.08455	174.3
[M+Na]+	360.06649	191.3
[M+NH4]+	355.11109	183.5
[M+K]+	376.04043	181.1
[M-H]-	336.06999	180.7
[M+Na-2H]-	358.05194	183.1
[M]+	337.07672	179.4
[M]-	337.07782	179.4

Literature stripe

literature stripe

Patent stripe

patents stripe