CID 3068032

Bayer 56200

Structural Information

Molecular Formula
C10H18NO4PS
SMILES
COP(=O)(OC)SCC(=O)N(CC=C)CC=C
InChI
InChI=1S/C10H18NO4PS/c1-5-7-11(8-6-2)10(12)9-17-16(13,14-3)15-4/h5-6H,1-2,7-9H2,3-4H3
InChIKey
ITLIBSSYOJRUCV-UHFFFAOYSA-N
Compound name
2-dimethoxyphosphorylsulfanyl-N,N-bis(prop-2-enyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.06943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07671 162.1
[M+Na]+ 302.05865 167.2
[M-H]- 278.06215 162.2
[M+NH4]+ 297.10325 179.3
[M+K]+ 318.03259 166.3
[M+H-H2O]+ 262.06669 153.5
[M+HCOO]- 324.06763 185.3
[M+CH3COO]- 338.08328 202.9
[M+Na-2H]- 300.04410 160.4
[M]+ 279.06888 170.5
[M]- 279.06998 170.5
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.