PubChemLite - 303059-57-6 (C28H25N5O5S2)

Structural Information

Molecular Formula

SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NNC(=O)N)C=C(C=C4)S(=O)(=O)NC5=CC=CC=C5C

InChI

InChI=1S/C28H25N5O5S2/c1-17-7-3-5-9-25(17)32-39(35,36)19-11-13-21-22-14-12-20(40(37,38)33-26-10-6-4-8-18(26)2)16-24(22)27(23(21)15-19)30-31-28(29)34/h3-16,32-33H,1-2H3,(H3,29,31,34)

InChIKey

AWVMOUNTJWGXRL-UHFFFAOYSA-N

Compound name

[[2,7-bis[(2-methylphenyl)sulfamoyl]fluoren-9-ylidene]amino]urea

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]+	576.13698	229.1
[M+Na]+	598.11892	234.2
[M-H]-	574.12242	239.5
[M+NH4]+	593.16352	235.2
[M+K]+	614.09286	228.5
[M+H-H2O]+	558.12696	220.7
[M+HCOO]-	620.12790	242.7
[M+CH3COO]-	634.14355	263.6
[M+Na-2H]-	596.10437	237.7
[M]+	575.12915	233.0
[M]-	575.13025	233.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

576.13698

229.1

[M+Na]+

598.11892

234.2

[M-H]-

574.12242

239.5

[M+NH4]+

593.16352

235.2

[M+K]+

614.09286

228.5

[M+H-H2O]+

558.12696

220.7

[M+HCOO]-

620.12790

242.7

[M+CH3COO]-

634.14355

263.6

[M+Na-2H]-

596.10437

237.7

[M]+

575.12915

233.0

[M]-

575.13025

233.0

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

303059-57-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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