CID 9587986

6-oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 2,4,8-trimethyl-5-oxo-, 1-methylethyl ester

Structural Information

Molecular Formula
C10H19N3O4S2
SMILES
CC(C)OC(=O)N(C)SN(C)C(=O)O/N=C(\C)/SC
InChI
InChI=1S/C10H19N3O4S2/c1-7(2)16-9(14)12(4)19-13(5)10(15)17-11-8(3)18-6/h7H,1-6H3/b11-8+
InChIKey
WLOFJIKPECMTMI-DHZHZOJOSA-N
Compound name
methyl (1E)-N-[methyl-[methyl(propan-2-yloxycarbonyl)amino]sulfanylcarbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0817 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08898 171.8
[M+Na]+ 332.07092 174.2
[M-H]- 308.07442 174.8
[M+NH4]+ 327.11552 187.4
[M+K]+ 348.04486 175.3
[M+H-H2O]+ 292.07896 163.4
[M+HCOO]- 354.07990 184.7
[M+CH3COO]- 368.09555 216.2
[M+Na-2H]- 330.05637 168.5
[M]+ 309.08115 179.4
[M]- 309.08225 179.4
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.