CID 135765093

22941-85-1

Structural Information

Molecular Formula
C14H21N2O6PS
SMILES
CCOP(=S)(OCC)OCCNC(=O)O/N=C/C1=CC=C(C=C1)O
InChI
InChI=1S/C14H21N2O6PS/c1-3-19-23(24,20-4-2)21-10-9-15-14(18)22-16-11-12-5-7-13(17)8-6-12/h5-8,11,17H,3-4,9-10H2,1-2H3,(H,15,18)/b16-11+
InChIKey
KVUFCXRQNXJBON-LFIBNONCSA-N
Compound name
[(E)-(4-hydroxyphenyl)methylideneamino] N-(2-diethoxyphosphinothioyloxyethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.0858 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09308 182.4
[M+Na]+ 399.07502 185.8
[M-H]- 375.07852 183.9
[M+NH4]+ 394.11962 194.3
[M+K]+ 415.04896 184.2
[M+H-H2O]+ 359.08306 171.6
[M+HCOO]- 421.08400 206.6
[M+CH3COO]- 435.09965 217.3
[M+Na-2H]- 397.06047 182.8
[M]+ 376.08525 190.8
[M]- 376.08635 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.