CID 6510008

N,n'-(sulfinylbis(methylimino)carbonyloxy)bisethanimidothioic acid dimethyl ester

Structural Information

Molecular Formula
C10H18N4O5S3
SMILES
C/C(=N/OC(=O)N(S(=O)N(C(=O)O/N=C(\SC)/C)C)C)/SC
InChI
InChI=1S/C10H18N4O5S3/c1-7(20-5)11-18-9(15)13(3)22(17)14(4)10(16)19-12-8(2)21-6/h1-6H3/b11-7-,12-8-
InChIKey
ZSLFVRSLQPRVSN-OXAWKVHCSA-N
Compound name
methyl (1Z)-N-[methyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylsulfinamoyl]carbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.04395 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.05123 184.4
[M+Na]+ 393.03317 185.1
[M-H]- 369.03667 186.9
[M+NH4]+ 388.07777 196.6
[M+K]+ 409.00711 184.0
[M+H-H2O]+ 353.04121 174.6
[M+HCOO]- 415.04215 191.9
[M+CH3COO]- 429.05780 227.7
[M+Na-2H]- 391.01862 181.9
[M]+ 370.04340 190.7
[M]- 370.04450 190.7
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.