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 164.2
[M+Na]+ 302.05865 169.8
[M+NH4]+ 297.10325 168.5
[M+K]+ 318.03259 164.8
[M-H]- 278.06215 160.8
[M+Na-2H]- 300.04410 163.7
[M]+ 279.06888 163.9
[M]- 279.06998 163.9
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.