CID 504317

2-[2-(morpholine-4-carbothioylsulfanyl)ethoxy]ethyl morpholine-4-carbodithioate

Structural Information

Molecular Formula
C14H24N2O3S4
SMILES
C1COCCN1C(=S)SCCOCCSC(=S)N2CCOCC2
InChI
InChI=1S/C14H24N2O3S4/c20-13(15-1-5-17-6-2-15)22-11-9-19-10-12-23-14(21)16-3-7-18-8-4-16/h1-12H2
InChIKey
POVMAAVUXATXCJ-UHFFFAOYSA-N
Compound name
2-[2-(morpholine-4-carbothioylsulfanyl)ethoxy]ethyl morpholine-4-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.067 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.07428 183.6
[M+Na]+ 419.05622 184.8
[M-H]- 395.05972 183.5
[M+NH4]+ 414.10082 189.3
[M+K]+ 435.03016 178.9
[M+H-H2O]+ 379.06426 176.8
[M+HCOO]- 441.06520 174.5
[M+CH3COO]- 455.08085 211.9
[M+Na-2H]- 417.04167 181.2
[M]+ 396.06645 177.8
[M]- 396.06755 177.8
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.