CID 6507273

22936-44-3

Structural Information

Molecular Formula
C15H22NO5PS
SMILES
CCOP(=S)(OCC)OC1=CC(=C(C=C1)/C(=N\OC(=O)C)/C)C
InChI
InChI=1S/C15H22NO5PS/c1-6-18-22(23,19-7-2)21-14-8-9-15(11(3)10-14)12(4)16-20-13(5)17/h8-10H,6-7H2,1-5H3/b16-12-
InChIKey
YODNKNIGHBPBRE-VBKFSLOCSA-N
Compound name
[(Z)-1-(4-diethoxyphosphinothioyloxy-2-methylphenyl)ethylideneamino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.09564 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.10292 181.7
[M+Na]+ 382.08486 189.5
[M+NH4]+ 377.12946 186.2
[M+K]+ 398.05880 184.0
[M-H]- 358.08836 180.9
[M+Na-2H]- 380.07031 183.9
[M]+ 359.09509 182.6
[M]- 359.09619 182.6
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.