CID 3001051

Nsc403854

Structural Information

Molecular Formula
C10H18N4O2S4
SMILES
C1COCCN1NC(=S)SSC(=S)NN2CCOCC2
InChI
InChI=1S/C10H18N4O2S4/c17-9(11-13-1-5-15-6-2-13)19-20-10(18)12-14-3-7-16-8-4-14/h1-8H2,(H,11,17)(H,12,18)
InChIKey
WMMYVLOTTMRSPJ-UHFFFAOYSA-N
Compound name
morpholin-4-ylcarbamothioylsulfanyl N-morpholin-4-ylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

354.03125 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.03853 172.0
[M+Na]+ 377.02047 173.6
[M-H]- 353.02397 172.0
[M+NH4]+ 372.06507 178.6
[M+K]+ 392.99441 166.8
[M+H-H2O]+ 337.02851 165.0
[M+HCOO]- 399.02945 164.9
[M+CH3COO]- 413.04510 176.5
[M+Na-2H]- 375.00592 172.9
[M]+ 354.03070 162.2
[M]- 354.03180 162.2
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