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 180.1
[M+Na]+ 365.10762 183.2
[M+NH4]+ 360.15222 185.1
[M+K]+ 381.08156 179.0
[M-H]- 341.11112 180.2
[M+Na-2H]- 363.09307 179.5
[M]+ 342.11785 180.6
[M]- 342.11895 180.6
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.