CID 9587987

Brn 2145703

Structural Information

Molecular Formula
C11H21N3O4S2
SMILES
CCN(C(=O)OC(C)C)SN(C)C(=O)O/N=C(\C)/SC
InChI
InChI=1S/C11H21N3O4S2/c1-7-14(11(16)17-8(2)3)20-13(5)10(15)18-12-9(4)19-6/h8H,7H2,1-6H3/b12-9+
InChIKey
IDRPPXNPLZBQLK-FMIVXFBMSA-N
Compound name
methyl (1E)-N-[[ethyl(propan-2-yloxycarbonyl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.09735 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10463 176.1
[M+Na]+ 346.08657 178.1
[M-H]- 322.09007 178.9
[M+NH4]+ 341.13117 191.1
[M+K]+ 362.06051 178.9
[M+H-H2O]+ 306.09461 167.5
[M+HCOO]- 368.09555 188.7
[M+CH3COO]- 382.11120 219.0
[M+Na-2H]- 344.07202 172.4
[M]+ 323.09680 184.0
[M]- 323.09790 184.0
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.