CID 62155

Larvin

Structural Information

Molecular Formula
C10H18N4O4S3
SMILES
CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC
InChI
InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3
InChIKey
XDOTVMNBCQVZKG-UHFFFAOYSA-N
Compound name
methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylcarbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

23
References

23990
Patents

354.049 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.056276 181.4
[M+Na]+ 377.038218 182.6
[M-H]- 353.041724 184.1
[M+NH4]+ 372.082823 194.6
[M+K]+ 393.012158 181.1
[M+H-H2O]+ 337.046260 171.6
[M+HCOO]- 399.047201 189.6
[M+CH3COO]- 413.062851 225.6
[M+Na-2H]- 375.023666 179.2
[M]+ 354.04845142 187.6
[M]- 354.04954858 187.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe