CID 13525

Amidithion

Structural Information

Molecular Formula
C7H16NO4PS2
SMILES
COCCNC(=O)CSP(=S)(OC)OC
InChI
InChI=1S/C7H16NO4PS2/c1-10-5-4-8-7(9)6-15-13(14,11-2)12-3/h4-6H2,1-3H3,(H,8,9)
InChIKey
GDTZUQIYUMGJRT-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5659
Patents

273.02585 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.03313 155.2
[M+Na]+ 296.01507 160.0
[M-H]- 272.01857 153.6
[M+NH4]+ 291.05967 171.9
[M+K]+ 311.98901 157.8
[M+H-H2O]+ 256.02311 146.3
[M+HCOO]- 318.02405 172.7
[M+CH3COO]- 332.03970 197.0
[M+Na-2H]- 294.00052 153.8
[M]+ 273.02530 162.5
[M]- 273.02640 162.5
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.