PubChemLite - 4882-68-2 (C20H29Cl2N6O2S)

Structural Information

Molecular Formula

SMILES

CCN(CC[N+](C)(C)N)C1=CC=C(C=C1)N=NC2=CC(=C(C=C2Cl)S(=O)(=O)N(C)C)Cl

InChI

InChI=1S/C20H29Cl2N6O2S/c1-6-27(11-12-28(4,5)23)16-9-7-15(8-10-16)24-25-19-13-18(22)20(14-17(19)21)31(29,30)26(2)3/h7-10,13-14H,6,11-12,23H2,1-5H3/q+1

InChIKey

PSXJOGZOIDTTMV-UHFFFAOYSA-N

Compound name

amino-[2-[4-[[2,5-dichloro-4-(dimethylsulfamoyl)phenyl]diazenyl]-N-ethylanilino]ethyl]-dimethylazanium

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]+	488.15228	214.1
[M+Na]+	510.13422	218.9
[M-H]-	486.13772	225.6
[M+NH4]+	505.17882	224.5
[M+K]+	526.10816	210.1
[M+H-H2O]+	470.14226	207.8
[M+HCOO]-	532.14320	228.9
[M+CH3COO]-	546.15885	252.4
[M+Na-2H]-	508.11967	219.0
[M]+	487.14445	222.2
[M]-	487.14555	222.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

488.15228

214.1

[M+Na]+

510.13422

218.9

[M-H]-

486.13772

225.6

[M+NH4]+

505.17882

224.5

[M+K]+

526.10816

210.1

[M+H-H2O]+

470.14226

207.8

[M+HCOO]-

532.14320

228.9

[M+CH3COO]-

546.15885

252.4

[M+Na-2H]-

508.11967

219.0

[M]+

487.14445

222.2

[M]-

487.14555

222.2

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

4882-68-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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