CID 3088191

Brn 5616535

Structural Information

Molecular Formula
C14H22N4O2S2
SMILES
C1CC(=O)N(C1)CCNC(=S)C(=S)NCCN2CCCC2=O
InChI
InChI=1S/C14H22N4O2S2/c19-11-3-1-7-17(11)9-5-15-13(21)14(22)16-6-10-18-8-2-4-12(18)20/h1-10H2,(H,15,21)(H,16,22)
InChIKey
VOTHOATWEXBPNJ-UHFFFAOYSA-N
Compound name
N,N'-bis[2-(2-oxopyrrolidin-1-yl)ethyl]ethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1184 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12568 181.2
[M+Na]+ 365.10762 184.9
[M-H]- 341.11112 184.1
[M+NH4]+ 360.15222 195.5
[M+K]+ 381.08156 180.3
[M+H-H2O]+ 325.11566 174.1
[M+HCOO]- 387.11660 189.4
[M+CH3COO]- 401.13225 209.7
[M+Na-2H]- 363.09307 174.5
[M]+ 342.11785 179.1
[M]- 342.11895 179.1
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.