PubChemLite - Benzamide, 2,2'-dithiobis(n-(4-hydroxycyclohexyl)- (C26H32N2O4S2)

Structural Information

Molecular Formula

SMILES

C1CC(CCC1NC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)NC4CCC(CC4)O)O

InChI

InChI=1S/C26H32N2O4S2/c29-19-13-9-17(10-14-19)27-25(31)21-5-1-3-7-23(21)33-34-24-8-4-2-6-22(24)26(32)28-18-11-15-20(30)16-12-18/h1-8,17-20,29-30H,9-16H2,(H,27,31)(H,28,32)

InChIKey

IAOKAMCBLSMRRF-UHFFFAOYSA-N

Compound name

N-(4-hydroxycyclohexyl)-2-[[2-[(4-hydroxycyclohexyl)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]+	501.18764	209.6
[M+Na]+	523.16958	207.6
[M-H]-	499.17308	215.3
[M+NH4]+	518.21418	213.6
[M+K]+	539.14352	200.5
[M+H-H2O]+	483.17762	200.4
[M+HCOO]-	545.17856	212.0
[M+CH3COO]-	559.19421	237.2
[M+Na-2H]-	521.15503	206.2
[M]+	500.17981	202.4
[M]-	500.18091	202.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

501.18764

209.6

[M+Na]+

523.16958

207.6

[M-H]-

499.17308

215.3

[M+NH4]+

518.21418

213.6

[M+K]+

539.14352

200.5

[M+H-H2O]+

483.17762

200.4

[M+HCOO]-

545.17856

212.0

[M+CH3COO]-

559.19421

237.2

[M+Na-2H]-

521.15503

206.2

[M]+

500.17981

202.4

[M]-

500.18091

202.4

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

Benzamide, 2,2'-dithiobis(n-(4-hydroxycyclohexyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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