PubChemLite - N,n'-bis(2,2'-dithiosalicyl)hydrazide (C28H20N4O4S4)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C(=O)NNC(=O)C3=CC=CC=C3SSC4=CC=CC=C4C(=O)NNC(=O)C5=CC=CC=C5SS2

InChI

InChI=1S/C28H20N4O4S4/c33-25-17-9-1-5-13-21(17)37-38-22-14-6-2-10-18(22)27(35)31-32-28(36)20-12-4-8-16-24(20)40-39-23-15-7-3-11-19(23)26(34)30-29-25/h1-16H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)

InChIKey

ZFFCQXUXSGUXST-UHFFFAOYSA-N

Compound name

2,3,20,21-tetrathia-11,12,29,30-tetrazapentacyclo[30.4.0.04,9.014,19.022,27]hexatriaconta-1(36),4,6,8,14,16,18,22,24,26,32,34-dodecaene-10,13,28,31-tetrone

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]+	605.04402	207.8
[M+Na]+	627.02596	214.3
[M-H]-	603.02946	201.0
[M+NH4]+	622.07056	204.7
[M+K]+	642.99990	203.3
[M+H-H2O]+	587.03400	208.5
[M+HCOO]-	649.03494	194.4
[M+CH3COO]-	663.05059	208.1
[M+Na-2H]-	625.01141	215.8
[M]+	604.03619	198.0
[M]-	604.03729	198.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

605.04402

207.8

[M+Na]+

627.02596

214.3

[M-H]-

603.02946

201.0

[M+NH4]+

622.07056

204.7

[M+K]+

642.99990

203.3

[M+H-H2O]+

587.03400

208.5

[M+HCOO]-

649.03494

194.4

[M+CH3COO]-

663.05059

208.1

[M+Na-2H]-

625.01141

215.8

[M]+

604.03619

198.0

[M]-

604.03729

198.0

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

N,n'-bis(2,2'-dithiosalicyl)hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe