PubChemLite - 303059-47-4 (C29H27N3O5S2)

Structural Information

Molecular Formula

SMILES

CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)S(=O)(=O)NC(C)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O5S2/c1-19(21-9-5-3-6-10-21)31-38(34,35)23-13-15-25-26-16-14-24(18-28(26)29(30-33)27(25)17-23)39(36,37)32-20(2)22-11-7-4-8-12-22/h3-20,31-33H,1-2H3

InChIKey

DLIZEIUKNQTLLN-UHFFFAOYSA-N

Compound name

9-hydroxyimino-2-N,7-N-bis(1-phenylethyl)fluorene-2,7-disulfonamide

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]+	562.14648	227.9
[M+Na]+	584.12842	231.9
[M-H]-	560.13192	237.3
[M+NH4]+	579.17302	234.5
[M+K]+	600.10236	226.4
[M+H-H2O]+	544.13646	220.1
[M+HCOO]-	606.13740	237.8
[M+CH3COO]-	620.15305	253.7
[M+Na-2H]-	582.11387	234.6
[M]+	561.13865	232.1
[M]-	561.13975	232.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

562.14648

227.9

[M+Na]+

584.12842

231.9

[M-H]-

560.13192

237.3

[M+NH4]+

579.17302

234.5

[M+K]+

600.10236

226.4

[M+H-H2O]+

544.13646

220.1

[M+HCOO]-

606.13740

237.8

[M+CH3COO]-

620.15305

253.7

[M+Na-2H]-

582.11387

234.6

[M]+

561.13865

232.1

[M]-

561.13975

232.1

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

303059-47-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe