PubChemLite - N'-[2-[[2-[(pyridine-4-carbonylamino)carbamoyl]phenyl]disulfanyl]benzoyl]pyridine-4-carbohydrazide (C26H20N6O4S2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=NC=C2)SSC3=CC=CC=C3C(=O)NNC(=O)C4=CC=NC=C4

InChI

InChI=1S/C26H20N6O4S2/c33-23(17-9-13-27-14-10-17)29-31-25(35)19-5-1-3-7-21(19)37-38-22-8-4-2-6-20(22)26(36)32-30-24(34)18-11-15-28-16-12-18/h1-16H,(H,29,33)(H,30,34)(H,31,35)(H,32,36)

InChIKey

MJEHTMZQSBKQQO-UHFFFAOYSA-N

Compound name

N'-[2-[[2-[(pyridine-4-carbonylamino)carbamoyl]phenyl]disulfanyl]benzoyl]pyridine-4-carbohydrazide

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]+	545.10603	217.5
[M+Na]+	567.08797	219.1
[M-H]-	543.09147	225.5
[M+NH4]+	562.13257	217.6
[M+K]+	583.06191	211.6
[M+H-H2O]+	527.09601	206.0
[M+HCOO]-	589.09695	228.8
[M+CH3COO]-	603.11260	221.9
[M+Na-2H]-	565.07342	222.2
[M]+	544.09820	217.2
[M]-	544.09930	217.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

545.10603

217.5

[M+Na]+

567.08797

219.1

[M-H]-

543.09147

225.5

[M+NH4]+

562.13257

217.6

[M+K]+

583.06191

211.6

[M+H-H2O]+

527.09601

206.0

[M+HCOO]-

589.09695

228.8

[M+CH3COO]-

603.11260

221.9

[M+Na-2H]-

565.07342

222.2

[M]+

544.09820

217.2

[M]-

544.09930

217.2

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

N'-[2-[[2-[(pyridine-4-carbonylamino)carbamoyl]phenyl]disulfanyl]benzoyl]pyridine-4-carbohydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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