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 180.6
[M+Na]+ 382.08486 186.0
[M-H]- 358.08836 184.1
[M+NH4]+ 377.12946 194.8
[M+K]+ 398.05880 184.9
[M+H-H2O]+ 342.09290 170.6
[M+HCOO]- 404.09384 203.9
[M+CH3COO]- 418.10949 218.1
[M+Na-2H]- 380.07031 178.3
[M]+ 359.09509 190.8
[M]- 359.09619 190.8
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.