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 182.5
[M+Na]+ 384.10049 186.5
[M-H]- 360.10399 185.7
[M+NH4]+ 379.14509 196.4
[M+K]+ 400.07443 186.6
[M+H-H2O]+ 344.10853 172.4
[M+HCOO]- 406.10947 204.6
[M+CH3COO]- 420.12512 218.5
[M+Na-2H]- 382.08594 179.7
[M]+ 361.11072 192.5
[M]- 361.11182 192.5
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.