CID 9576657

Brn 2142700

Structural Information

Molecular Formula
C9H17N3O4S2
SMILES
CCOC(=O)N(C)SN(C)C(=O)O/N=C(\C)/SC
InChI
InChI=1S/C9H17N3O4S2/c1-6-15-8(13)11(3)18-12(4)9(14)16-10-7(2)17-5/h6H2,1-5H3/b10-7+
InChIKey
VEHYYCRDMUUZEQ-JXMROGBWSA-N
Compound name
methyl (1E)-N-[[ethoxycarbonyl(methyl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.06604 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.07332 167.4
[M+Na]+ 318.05526 170.5
[M-H]- 294.05876 170.6
[M+NH4]+ 313.09986 183.6
[M+K]+ 334.02920 171.2
[M+H-H2O]+ 278.06330 159.0
[M+HCOO]- 340.06424 181.7
[M+CH3COO]- 354.07989 212.4
[M+Na-2H]- 316.04071 165.4
[M]+ 295.06549 175.1
[M]- 295.06659 175.1
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.