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 184.7
[M+Na]+ 414.05692 187.6
[M-H]- 390.06042 185.6
[M+NH4]+ 409.10152 196.3
[M+K]+ 430.03086 184.5
[M+H-H2O]+ 374.06496 174.4
[M+HCOO]- 436.06590 199.8
[M+CH3COO]- 450.08155 219.2
[M+Na-2H]- 412.04237 180.8
[M]+ 391.06715 192.1
[M]- 391.06825 192.1
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.