CID 6510011

Methyl n-(((methyl((phenylthio)sulfinyl)amino)carbonyl)oxy)ethanimidothioate

Structural Information

Molecular Formula
C11H14N2O3S3
SMILES
C/C(=N/OC(=O)N(C)S(=O)SC1=CC=CC=C1)/SC
InChI
InChI=1S/C11H14N2O3S3/c1-9(17-3)12-16-11(14)13(2)19(15)18-10-7-5-4-6-8-10/h4-8H,1-3H3/b12-9-
InChIKey
GDEPXUQKLHUOBL-XFXZXTDPSA-N
Compound name
methyl (1Z)-N-[methyl(phenylsulfanylsulfinyl)carbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.01666 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.02394 169.8
[M+Na]+ 341.00588 174.1
[M-H]- 317.00938 173.9
[M+NH4]+ 336.05048 184.3
[M+K]+ 356.97982 169.7
[M+H-H2O]+ 301.01392 161.6
[M+HCOO]- 363.01486 177.5
[M+CH3COO]- 377.03051 209.7
[M+Na-2H]- 338.99133 169.3
[M]+ 318.01611 173.6
[M]- 318.01721 173.6
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.