PubChemLite - 36783-07-0 (C19H24Cl2N4O5S2)

Structural Information

Molecular Formula

SMILES

CCN(CC)C1=CC(=C(C=C1)N=NC2=CC(=C(C=C2Cl)S(=O)(=O)NCCS(=O)(=O)O)Cl)C

InChI

InChI=1S/C19H24Cl2N4O5S2/c1-4-25(5-2)14-6-7-17(13(3)10-14)23-24-18-11-16(21)19(12-15(18)20)32(29,30)22-8-9-31(26,27)28/h6-7,10-12,22H,4-5,8-9H2,1-3H3,(H,26,27,28)

InChIKey

LYGYPMRVIXEMCK-UHFFFAOYSA-N

Compound name

2-[[2,5-dichloro-4-[[4-(diethylamino)-2-methylphenyl]diazenyl]phenyl]sulfonylamino]ethanesulfonic acid

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]+	523.06378	217.1
[M+Na]+	545.04572	223.2
[M-H]-	521.04922	225.5
[M+NH4]+	540.09032	225.2
[M+K]+	561.01966	216.9
[M+H-H2O]+	505.05376	209.8
[M+HCOO]-	567.05470	223.7
[M+CH3COO]-	581.07035	249.8
[M+Na-2H]-	543.03117	219.9
[M]+	522.05595	227.7
[M]-	522.05705	227.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

523.06378

217.1

[M+Na]+

545.04572

223.2

[M-H]-

521.04922

225.5

[M+NH4]+

540.09032

225.2

[M+K]+

561.01966

216.9

[M+H-H2O]+

505.05376

209.8

[M+HCOO]-

567.05470

223.7

[M+CH3COO]-

581.07035

249.8

[M+Na-2H]-

543.03117

219.9

[M]+

522.05595

227.7

[M]-

522.05705

227.7

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

36783-07-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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