CID 5116897

N,n'-bis-(2-morpholinoethyl)-dithiooxamide

Structural Information

Molecular Formula
C14H26N4O2S2
SMILES
C1COCCN1CCNC(=S)C(=S)NCCN2CCOCC2
InChI
InChI=1S/C14H26N4O2S2/c21-13(15-1-3-17-5-9-19-10-6-17)14(22)16-2-4-18-7-11-20-12-8-18/h1-12H2,(H,15,21)(H,16,22)
InChIKey
FJJTVKMLDAFBFD-UHFFFAOYSA-N
Compound name
N,N'-bis(2-morpholin-4-ylethyl)ethanedithioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

346.14972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15700 178.5
[M+Na]+ 369.13894 178.1
[M-H]- 345.14244 180.4
[M+NH4]+ 364.18354 185.7
[M+K]+ 385.11288 175.3
[M+H-H2O]+ 329.14698 169.6
[M+HCOO]- 391.14792 180.8
[M+CH3COO]- 405.16357 210.1
[M+Na-2H]- 367.12439 177.4
[M]+ 346.14917 172.8
[M]- 346.15027 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe