CID 34331

28789-74-4

Structural Information

Molecular Formula
C15H24NO4PS
SMILES
CCOP(=S)(N(C)C(=O)OC1=CC=CC(=C1)C(C)C)OCC
InChI
InChI=1S/C15H24NO4PS/c1-6-18-21(22,19-7-2)16(5)15(17)20-14-10-8-9-13(11-14)12(3)4/h8-12H,6-7H2,1-5H3
InChIKey
HZHVLKKSOKWVNK-UHFFFAOYSA-N
Compound name
(3-propan-2-ylphenyl) N-diethoxyphosphinothioyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.11636 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.12364 179.8
[M+Na]+ 368.10558 184.1
[M-H]- 344.10908 183.1
[M+NH4]+ 363.15018 194.5
[M+K]+ 384.07952 183.5
[M+H-H2O]+ 328.11362 170.0
[M+HCOO]- 390.11456 201.7
[M+CH3COO]- 404.13021 216.5
[M+Na-2H]- 366.09103 176.7
[M]+ 345.11581 188.4
[M]- 345.11691 188.4
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.