CID 9588369

79438-83-8

Structural Information

Molecular Formula
C15H30N3O4PS3
SMILES
CCOP(=S)(N(C1CCCCC1)SN(C)C(=O)O/N=C(\C)/SC)OCC
InChI
InChI=1S/C15H30N3O4PS3/c1-6-20-23(24,21-7-2)18(14-11-9-8-10-12-14)26-17(4)15(19)22-16-13(3)25-5/h14H,6-12H2,1-5H3/b16-13+
InChIKey
MCWYQZGKBVKSLG-DTQAZKPQSA-N
Compound name
methyl (1E)-N-[[cyclohexyl(diethoxyphosphinothioyl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.11362 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.12090 193.1
[M+Na]+ 466.10284 191.0
[M-H]- 442.10634 194.8
[M+NH4]+ 461.14744 203.0
[M+K]+ 482.07678 188.7
[M+H-H2O]+ 426.11088 181.2
[M+HCOO]- 488.11182 202.8
[M+CH3COO]- 502.12747 237.6
[M+Na-2H]- 464.08829 189.9
[M]+ 443.11307 196.5
[M]- 443.11417 196.5
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.