CID 118826

Monsanto cp-18978

Structural Information

Molecular Formula
C12H22NO3PS2
SMILES
CCOP(=S)(OCC)SCC(=O)N(CC=C)CC=C
InChI
InChI=1S/C12H22NO3PS2/c1-5-9-13(10-6-2)12(14)11-19-17(18,15-7-3)16-8-4/h5-6H,1-2,7-11H2,3-4H3
InChIKey
SYIAFSSBAJMYCM-UHFFFAOYSA-N
Compound name
2-diethoxyphosphinothioylsulfanyl-N,N-bis(prop-2-enyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.07788 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.08516 171.7
[M+Na]+ 346.06710 175.4
[M-H]- 322.07060 170.9
[M+NH4]+ 341.11170 187.1
[M+K]+ 362.04104 171.8
[M+H-H2O]+ 306.07514 162.2
[M+HCOO]- 368.07608 188.2
[M+CH3COO]- 382.09173 211.1
[M+Na-2H]- 344.05255 167.3
[M]+ 323.07733 179.4
[M]- 323.07843 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.