CID 3032716

Carbonic acid, thio-, bis(anhydrosulfide) with hexamethylenebis(dithiocarbamic acid), diethyl ester

Structural Information

Molecular Formula
C14H24N2O4S4
SMILES
CCOC(=O)SC(=S)NCCCCCCNC(=S)SC(=O)OCC
InChI
InChI=1S/C14H24N2O4S4/c1-3-19-13(17)23-11(21)15-9-7-5-6-8-10-16-12(22)24-14(18)20-4-2/h3-10H2,1-2H3,(H,15,21)(H,16,22)
InChIKey
QSUBUALRKKUPPH-UHFFFAOYSA-N
Compound name
ethyl 6-(ethoxycarbonylsulfanylcarbothioylamino)hexylcarbamothioylsulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.0619 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.06918 192.6
[M+Na]+ 435.05112 192.0
[M-H]- 411.05462 187.7
[M+NH4]+ 430.09572 201.0
[M+K]+ 451.02506 182.6
[M+H-H2O]+ 395.05916 183.7
[M+HCOO]- 457.06010 188.3
[M+CH3COO]- 471.07575 221.0
[M+Na-2H]- 433.03657 188.8
[M]+ 412.06135 193.2
[M]- 412.06245 193.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.