CID 31148

Hercules 14469

Structural Information

Molecular Formula
C15H22NO5PS2
SMILES
CC(C)C1=CC(=CC=C1)OC(=O)NCC(=O)CSP(=S)(OC)OC
InChI
InChI=1S/C15H22NO5PS2/c1-11(2)12-6-5-7-14(8-12)21-15(18)16-9-13(17)10-24-22(23,19-3)20-4/h5-8,11H,9-10H2,1-4H3,(H,16,18)
InChIKey
NEZZLYHNLCQXDS-UHFFFAOYSA-N
Compound name
(3-propan-2-ylphenyl) N-(3-dimethoxyphosphinothioylsulfanyl-2-oxopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.0677 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.07498 184.4
[M+Na]+ 414.05692 190.1
[M+NH4]+ 409.10152 188.7
[M+K]+ 430.03086 184.0
[M-H]- 390.06042 183.0
[M+Na-2H]- 412.04237 185.6
[M]+ 391.06715 185.3
[M]- 391.06825 185.3
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.