PubChemLite - 1477511-57-1 (C36H24N2O4S)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3O2)C4=CC=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)N6C7=CC=CC=C7OC8=CC=CC=C86

InChI

InChI=1S/C36H24N2O4S/c39-43(40,27-21-17-25(18-22-27)37-29-9-1-5-13-33(29)41-34-14-6-2-10-30(34)37)28-23-19-26(20-24-28)38-31-11-3-7-15-35(31)42-36-16-8-4-12-32(36)38/h1-24H

InChIKey

UVRNFNCBMQHWLB-UHFFFAOYSA-N

Compound name

10-[4-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]phenoxazine

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]+	581.15298	234.8
[M+Na]+	603.13492	242.0
[M-H]-	579.13842	246.9
[M+NH4]+	598.17952	235.0
[M+K]+	619.10886	236.7
[M+H-H2O]+	563.14296	219.1
[M+HCOO]-	625.14390	239.3
[M+CH3COO]-	639.15955	239.6
[M+Na-2H]-	601.12037	240.8
[M]+	580.14515	235.9
[M]-	580.14625	235.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

581.15298

234.8

[M+Na]+

603.13492

242.0

[M-H]-

579.13842

246.9

[M+NH4]+

598.17952

235.0

[M+K]+

619.10886

236.7

[M+H-H2O]+

563.14296

219.1

[M+HCOO]-

625.14390

239.3

[M+CH3COO]-

639.15955

239.6

[M+Na-2H]-

601.12037

240.8

[M]+

580.14515

235.9

[M]-

580.14625

235.9

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

1477511-57-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe