CID 198138

Methylphosphonothioic acid o-ethyl s-(2-(methylphenylamino)ethyl) ester

Structural Information

Molecular Formula
C12H20NO2PS
SMILES
CCOP(=O)(C)SCCN(C)C1=CC=CC=C1
InChI
InChI=1S/C12H20NO2PS/c1-4-15-16(3,14)17-11-10-13(2)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3
InChIKey
UQCSBIPNQSCJAS-UHFFFAOYSA-N
Compound name
N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.09525 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10253 162.3
[M+Na]+ 296.08447 167.6
[M-H]- 272.08797 165.7
[M+NH4]+ 291.12907 179.9
[M+K]+ 312.05841 166.0
[M+H-H2O]+ 256.09251 152.7
[M+HCOO]- 318.09345 186.6
[M+CH3COO]- 332.10910 202.9
[M+Na-2H]- 294.06992 162.5
[M]+ 273.09470 168.7
[M]- 273.09580 168.7
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.