PubChemLite - N-(2,5-dimethoxyphenyl)-2-[[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]disulfanyl]benzamide (C30H28N2O6S2)

Structural Information

Molecular Formula

SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)NC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C30H28N2O6S2/c1-35-19-13-15-25(37-3)23(17-19)31-29(33)21-9-5-7-11-27(21)39-40-28-12-8-6-10-22(28)30(34)32-24-18-20(36-2)14-16-26(24)38-4/h5-18H,1-4H3,(H,31,33)(H,32,34)

InChIKey

YAVUBJDOPYJPIW-UHFFFAOYSA-N

Compound name

N-(2,5-dimethoxyphenyl)-2-[[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]disulfanyl]benzamide

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]+	577.14613	235.0
[M+Na]+	599.12807	238.3
[M-H]-	575.13157	245.8
[M+NH4]+	594.17267	237.6
[M+K]+	615.10201	232.6
[M+H-H2O]+	559.13611	222.9
[M+HCOO]-	621.13705	247.0
[M+CH3COO]-	635.15270	256.6
[M+Na-2H]-	597.11352	233.8
[M]+	576.13830	242.9
[M]-	576.13940	242.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

577.14613

235.0

[M+Na]+

599.12807

238.3

[M-H]-

575.13157

245.8

[M+NH4]+

594.17267

237.6

[M+K]+

615.10201

232.6

[M+H-H2O]+

559.13611

222.9

[M+HCOO]-

621.13705

247.0

[M+CH3COO]-

635.15270

256.6

[M+Na-2H]-

597.11352

233.8

[M]+

576.13830

242.9

[M]-

576.13940

242.9

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

N-(2,5-dimethoxyphenyl)-2-[[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]disulfanyl]benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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