CID 9578523

Stauffer r 15018

Structural Information

Molecular Formula
C15H22NO6PS
SMILES
CCOC(=O)O/N=C(\C)/C1=CC=C(C=C1)OP(=S)(OCC)OCC
InChI
InChI=1S/C15H22NO6PS/c1-5-18-15(17)21-16-12(4)13-8-10-14(11-9-13)22-23(24,19-6-2)20-7-3/h8-11H,5-7H2,1-4H3/b16-12+
InChIKey
QEBMRZMCJGHZRW-FOWTUZBSSA-N
Compound name
[(E)-1-(4-diethoxyphosphinothioyloxyphenyl)ethylideneamino] ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.09055 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.09783 184.1
[M+Na]+ 398.07977 188.5
[M-H]- 374.08327 187.3
[M+NH4]+ 393.12437 197.3
[M+K]+ 414.05371 188.0
[M+H-H2O]+ 358.08781 173.7
[M+HCOO]- 420.08875 207.7
[M+CH3COO]- 434.10440 218.2
[M+Na-2H]- 396.06522 182.8
[M]+ 375.09000 195.2
[M]- 375.09110 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.