PubChemLite - 5980-78-9 (C23H20N4O3S2)

Structural Information

Molecular Formula

SMILES

CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C\C(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H20N4O3S2/c1-2-22-25-26-23(31-22)27-32(29,30)20-11-9-19(10-12-20)24-14-13-21(28)18-8-7-16-5-3-4-6-17(16)15-18/h3-15,24H,2H2,1H3,(H,26,27)/b14-13-

InChIKey

JOMYEBMOAAUPSM-YPKPFQOOSA-N

Compound name

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[[(Z)-3-naphthalen-2-yl-3-oxoprop-1-enyl]amino]benzenesulfonamide

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]+	465.10498	208.0
[M+Na]+	487.08692	216.4
[M-H]-	463.09042	216.0
[M+NH4]+	482.13152	216.3
[M+K]+	503.06086	207.8
[M+H-H2O]+	447.09496	199.4
[M+HCOO]-	509.09590	220.7
[M+CH3COO]-	523.11155	216.1
[M+Na-2H]-	485.07237	211.9
[M]+	464.09715	212.8
[M]-	464.09825	212.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.10498

208.0

[M+Na]+

487.08692

216.4

[M-H]-

463.09042

216.0

[M+NH4]+

482.13152

216.3

[M+K]+

503.06086

207.8

[M+H-H2O]+

447.09496

199.4

[M+HCOO]-

509.09590

220.7

[M+CH3COO]-

523.11155

216.1

[M+Na-2H]-

485.07237

211.9

[M]+

464.09715

212.8

[M]-

464.09825

212.8

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

5980-78-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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