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]+ 364.13085 187.2
[M+Na]+ 386.11279 192.3
[M-H]- 362.11629 188.3
[M+NH4]+ 381.15739 199.4
[M+K]+ 402.08673 190.2
[M+H-H2O]+ 346.12083 176.5
[M+HCOO]- 408.12177 210.1
[M+CH3COO]- 422.13742 214.9
[M+Na-2H]- 384.09824 188.1
[M]+ 363.12302 194.0
[M]- 363.12412 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.