PubChemLite - N-(4-propanoylphenyl)-2-[[2-[(4-propanoylphenyl)carbamoyl]phenyl]disulfanyl]benzamide (C32H28N2O4S2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C32H28N2O4S2/c1-3-27(35)21-13-17-23(18-14-21)33-31(37)25-9-5-7-11-29(25)39-40-30-12-8-6-10-26(30)32(38)34-24-19-15-22(16-20-24)28(36)4-2/h5-20H,3-4H2,1-2H3,(H,33,37)(H,34,38)

InChIKey

FCZNPQGOYKWYNB-UHFFFAOYSA-N

Compound name

N-(4-propanoylphenyl)-2-[[2-[(4-propanoylphenyl)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]+	569.15633	235.2
[M+Na]+	591.13827	236.8
[M-H]-	567.14177	245.1
[M+NH4]+	586.18287	237.5
[M+K]+	607.11221	229.1
[M+H-H2O]+	551.14631	223.7
[M+HCOO]-	613.14725	244.6
[M+CH3COO]-	627.16290	255.8
[M+Na-2H]-	589.12372	232.1
[M]+	568.14850	238.1
[M]-	568.14960	238.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

569.15633

235.2

[M+Na]+

591.13827

236.8

[M-H]-

567.14177

245.1

[M+NH4]+

586.18287

237.5

[M+K]+

607.11221

229.1

[M+H-H2O]+

551.14631

223.7

[M+HCOO]-

613.14725

244.6

[M+CH3COO]-

627.16290

255.8

[M+Na-2H]-

589.12372

232.1

[M]+

568.14850

238.1

[M]-

568.14960

238.1

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

N-(4-propanoylphenyl)-2-[[2-[(4-propanoylphenyl)carbamoyl]phenyl]disulfanyl]benzamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe