CID 9587990

Brn 2174039

Structural Information

Molecular Formula
C12H22N4O5S2
SMILES
CC(C)OC(=O)N(C)SN(C)C(=O)O/N=C(/C(=O)N(C)C)\SC
InChI
InChI=1S/C12H22N4O5S2/c1-8(2)20-11(18)15(5)23-16(6)12(19)21-13-9(22-7)10(17)14(3)4/h8H,1-7H3/b13-9-
InChIKey
JABWKBLKVYTKJB-LCYFTJDESA-N
Compound name
methyl (1Z)-2-(dimethylamino)-N-[methyl-[methyl(propan-2-yloxycarbonyl)amino]sulfanylcarbamoyl]oxy-2-oxoethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.10315 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.11043 186.7
[M+Na]+ 389.09237 187.3
[M-H]- 365.09587 190.6
[M+NH4]+ 384.13697 200.0
[M+K]+ 405.06631 189.9
[M+H-H2O]+ 349.10041 177.4
[M+HCOO]- 411.10135 199.6
[M+CH3COO]- 425.11700 231.0
[M+Na-2H]- 387.07782 182.2
[M]+ 366.10260 195.3
[M]- 366.10370 195.3
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.