PubChemLite - 325695-41-8 (C33H28N4O4S2)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NNC5=CC=CC=C5)C=C(C=C4)S(=O)(=O)NC6=CC=C(C=C6)C

InChI

InChI=1S/C33H28N4O4S2/c1-22-8-12-25(13-9-22)36-42(38,39)27-16-18-29-30-19-17-28(43(40,41)37-26-14-10-23(2)11-15-26)21-32(30)33(31(29)20-27)35-34-24-6-4-3-5-7-24/h3-21,34,36-37H,1-2H3

InChIKey

YJFWHQAMIYPGLL-UHFFFAOYSA-N

Compound name

2-N,7-N-bis(4-methylphenyl)-9-(phenylhydrazinylidene)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]+	609.16248	239.5
[M+Na]+	631.14442	245.5
[M-H]-	607.14792	253.1
[M+NH4]+	626.18902	244.7
[M+K]+	647.11836	238.3
[M+H-H2O]+	591.15246	229.8
[M+HCOO]-	653.15340	253.4
[M+CH3COO]-	667.16905	245.5
[M+Na-2H]-	629.12987	248.1
[M]+	608.15465	243.8
[M]-	608.15575	243.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

609.16248

239.5

[M+Na]+

631.14442

245.5

[M-H]-

607.14792

253.1

[M+NH4]+

626.18902

244.7

[M+K]+

647.11836

238.3

[M+H-H2O]+

591.15246

229.8

[M+HCOO]-

653.15340

253.4

[M+CH3COO]-

667.16905

245.5

[M+Na-2H]-

629.12987

248.1

[M]+

608.15465

243.8

[M]-

608.15575

243.8

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

325695-41-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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