CID 6510093

84603-46-3

Structural Information

Molecular Formula
C15H20N2O6S2
SMILES
C/C(=N/OC(=O)N(C)S(=O)OC1COC(OC1)C2=CC=CC=C2)/SC
InChI
InChI=1S/C15H20N2O6S2/c1-11(24-3)16-22-15(18)17(2)25(19)23-13-9-20-14(21-10-13)12-7-5-4-6-8-12/h4-8,13-14H,9-10H2,1-3H3/b16-11-
InChIKey
UVTDJKLROSSAEM-WJDWOHSUSA-N
Compound name
methyl (1Z)-N-[methyl-[(2-phenyl-1,3-dioxan-5-yl)oxysulfinyl]carbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.0763 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.08358 188.8
[M+Na]+ 411.06552 191.0
[M-H]- 387.06902 197.5
[M+NH4]+ 406.11012 198.0
[M+K]+ 427.03946 192.0
[M+H-H2O]+ 371.07356 180.1
[M+HCOO]- 433.07450 199.0
[M+CH3COO]- 447.09015 221.6
[M+Na-2H]- 409.05097 189.1
[M]+ 388.07575 194.0
[M]- 388.07685 194.0
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.