PubChemLite - 303059-36-1 (C29H38N4O4S2)

Structural Information

Molecular Formula

SMILES

CC(=C)CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)S(=O)(=O)N5CCN(CC5)CC(=C)C

InChI

InChI=1S/C29H38N4O4S2/c1-22(2)20-30-9-13-32(14-10-30)38(34,35)26-5-7-28-24(18-26)17-25-19-27(6-8-29(25)28)39(36,37)33-15-11-31(12-16-33)21-23(3)4/h5-8,18-19H,1,3,9-17,20-21H2,2,4H3

InChIKey

DHUVTRUTMZAIDK-UHFFFAOYSA-N

Compound name

1-(2-methylprop-2-enyl)-4-[[7-[4-(2-methylprop-2-enyl)piperazin-1-yl]sulfonyl-9H-fluoren-2-yl]sulfonyl]piperazine

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]+	571.24074	234.5
[M+Na]+	593.22268	237.1
[M-H]-	569.22618	237.5
[M+NH4]+	588.26728	236.6
[M+K]+	609.19662	230.2
[M+H-H2O]+	553.23072	226.5
[M+HCOO]-	615.23166	228.9
[M+CH3COO]-	629.24731	250.0
[M+Na-2H]-	591.20813	231.2
[M]+	570.23291	233.1
[M]-	570.23401	233.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

571.24074

234.5

[M+Na]+

593.22268

237.1

[M-H]-

569.22618

237.5

[M+NH4]+

588.26728

236.6

[M+K]+

609.19662

230.2

[M+H-H2O]+

553.23072

226.5

[M+HCOO]-

615.23166

228.9

[M+CH3COO]-

629.24731

250.0

[M+Na-2H]-

591.20813

231.2

[M]+

570.23291

233.1

[M]-

570.23401

233.1

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

303059-36-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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