CID 34333

28789-77-7

Structural Information

Molecular Formula
C15H24NO5PS
SMILES
CCOP(=S)(N(C)C(=O)OC1=CC=CC=C1OC(C)C)OCC
InChI
InChI=1S/C15H24NO5PS/c1-6-18-22(23,19-7-2)16(5)15(17)21-14-11-9-8-10-13(14)20-12(3)4/h8-12H,6-7H2,1-5H3
InChIKey
MYNSPGUPGPWCGJ-UHFFFAOYSA-N
Compound name
(2-propan-2-yloxyphenyl) N-diethoxyphosphinothioyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.11127 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.11855 181.7
[M+Na]+ 384.10049 188.8
[M+NH4]+ 379.14509 186.4
[M+K]+ 400.07443 184.1
[M-H]- 360.10399 180.9
[M+Na-2H]- 382.08594 184.0
[M]+ 361.11072 182.5
[M]- 361.11182 182.5
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.