CID 6477433

Nsc660145

Structural Information

Molecular Formula
C18H22NO5P
SMILES
CCOC(=O)/C(=C/C1=CC=NC2=CC=CC=C12)/P(=O)(OCC)OCC
InChI
InChI=1S/C18H22NO5P/c1-4-22-18(20)17(25(21,23-5-2)24-6-3)13-14-11-12-19-16-10-8-7-9-15(14)16/h7-13H,4-6H2,1-3H3/b17-13-
InChIKey
PZABUELMIXZEIR-LGMDPLHJSA-N
Compound name
ethyl (Z)-2-diethoxyphosphoryl-3-quinolin-4-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.12357 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.130846 187.2
[M+Na]+ 386.112788 192.3
[M-H]- 362.116294 188.3
[M+NH4]+ 381.157393 199.4
[M+K]+ 402.086728 190.2
[M+H-H2O]+ 346.120830 176.5
[M+HCOO]- 408.121771 210.1
[M+CH3COO]- 422.137421 214.9
[M+Na-2H]- 384.098236 188.1
[M]+ 363.12302142 194.0
[M]- 363.12411858 194.0
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.