CID 9588107

1,4-dithian-2-one, o,o'-(dithiobis((methylimino)carbonyl))dioxime

Structural Information

Molecular Formula
C12H18N4O4S6
SMILES
CN(SSN(C(=O)O/N=C\1/SCCSC1)C)C(=O)O/N=C\2/SCCSC2
InChI
InChI=1S/C12H18N4O4S6/c1-15(11(17)19-13-9-7-21-3-5-23-9)25-26-16(2)12(18)20-14-10-8-22-4-6-24-10/h3-8H2,1-2H3/b13-9+,14-10+
InChIKey
AVLQRPRPZDLABR-UTLPMFLDSA-N
Compound name
[(E)-1,4-dithian-2-ylideneamino] N-[[[(E)-1,4-dithian-2-ylideneamino]oxycarbonyl-methylamino]disulfanyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.96524 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.97252 170.3
[M+Na]+ 496.95446 170.4
[M+NH4]+ 491.99906 175.9
[M+K]+ 512.92840 161.8
[M-H]- 472.95796 173.1
[M+Na-2H]- 494.93991 172.8
[M]+ 473.96469 172.7
[M]- 473.96579 172.7
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.