CID 76073

Ciba c-2428

Structural Information

Molecular Formula
C8H18NO4PS2
SMILES
CC(C)N(C(=O)CSP(=S)(OC)OC)OC
InChI
InChI=1S/C8H18NO4PS2/c1-7(2)9(11-3)8(10)6-16-14(15,12-4)13-5/h7H,6H2,1-5H3
InChIKey
UOGTWQOXQJLFEG-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphinothioylsulfanyl-N-methoxy-N-propan-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.04147 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04875 159.1
[M+Na]+ 310.03069 163.3
[M-H]- 286.03419 158.9
[M+NH4]+ 305.07529 175.8
[M+K]+ 326.00463 162.9
[M+H-H2O]+ 270.03873 150.1
[M+HCOO]- 332.03967 175.7
[M+CH3COO]- 346.05532 204.0
[M+Na-2H]- 308.01614 155.9
[M]+ 287.04092 167.5
[M]- 287.04202 167.5
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.