PubChemLite - 2,2'-dithiobis(n-(2-(n-ethylcarbamoyl)oxy)ethyl)benzamide) (C24H30N4O6S2)

Structural Information

Molecular Formula

SMILES

CCNC(=O)OCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCOC(=O)NCC

InChI

InChI=1S/C24H30N4O6S2/c1-3-25-23(31)33-15-13-27-21(29)17-9-5-7-11-19(17)35-36-20-12-8-6-10-18(20)22(30)28-14-16-34-24(32)26-4-2/h5-12H,3-4,13-16H2,1-2H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)

InChIKey

BGDVJDHOODQTHS-UHFFFAOYSA-N

Compound name

2-[[2-[[2-[2-(ethylcarbamoyloxy)ethylcarbamoyl]phenyl]disulfanyl]benzoyl]amino]ethyl N-ethylcarbamate

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]+	535.16798	222.5
[M+Na]+	557.14992	220.8
[M-H]-	533.15342	225.7
[M+NH4]+	552.19452	225.9
[M+K]+	573.12386	215.9
[M+H-H2O]+	517.15796	211.4
[M+HCOO]-	579.15890	233.8
[M+CH3COO]-	593.17455	250.7
[M+Na-2H]-	555.13537	221.3
[M]+	534.16015	227.7
[M]-	534.16125	227.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

535.16798

222.5

[M+Na]+

557.14992

220.8

[M-H]-

533.15342

225.7

[M+NH4]+

552.19452

225.9

[M+K]+

573.12386

215.9

[M+H-H2O]+

517.15796

211.4

[M+HCOO]-

579.15890

233.8

[M+CH3COO]-

593.17455

250.7

[M+Na-2H]-

555.13537

221.3

[M]+

534.16015

227.7

[M]-

534.16125

227.7

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

2,2'-dithiobis(n-(2-(n-ethylcarbamoyl)oxy)ethyl)benzamide)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe