CID 9577593

Stauffer r 15996

Structural Information

Molecular Formula
C16H23N2O6PS
SMILES
CCOP(=S)(OCC)OC1=CC=C(C=C1)/C=N/OC(=O)N2CCOCC2
InChI
InChI=1S/C16H23N2O6PS/c1-3-21-25(26,22-4-2)24-15-7-5-14(6-8-15)13-17-23-16(19)18-9-11-20-12-10-18/h5-8,13H,3-4,9-12H2,1-2H3/b17-13+
InChIKey
YRIUUFDKHGMEGZ-GHRIWEEISA-N
Compound name
[(E)-(4-diethoxyphosphinothioyloxyphenyl)methylideneamino] morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.10144 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.10872 189.3
[M+Na]+ 425.09066 191.9
[M-H]- 401.09416 194.0
[M+NH4]+ 420.13526 198.1
[M+K]+ 441.06460 191.8
[M+H-H2O]+ 385.09870 177.5
[M+HCOO]- 447.09964 208.9
[M+CH3COO]- 461.11529 220.4
[M+Na-2H]- 423.07611 189.3
[M]+ 402.10089 195.2
[M]- 402.10199 195.2
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.