CID 5467568

Nsc655945

Structural Information

Molecular Formula
C19H23O5P
SMILES
CCOC(=O)/C(=C\C1=CC2=CC=CC=C2C=C1)/P(=O)(OCC)OCC
InChI
InChI=1S/C19H23O5P/c1-4-22-19(20)18(25(21,23-5-2)24-6-3)14-15-11-12-16-9-7-8-10-17(16)13-15/h7-14H,4-6H2,1-3H3/b18-14+
InChIKey
DLECWYVBKQCDRC-NBVRZTHBSA-N
Compound name
ethyl (E)-2-diethoxyphosphoryl-3-naphthalen-2-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1283 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13558 187.8
[M+Na]+ 385.11752 192.8
[M-H]- 361.12102 190.2
[M+NH4]+ 380.16212 201.6
[M+K]+ 401.09146 190.5
[M+H-H2O]+ 345.12556 178.0
[M+HCOO]- 407.12650 211.8
[M+CH3COO]- 421.14215 215.3
[M+Na-2H]- 383.10297 188.1
[M]+ 362.12775 194.7
[M]- 362.12885 194.7
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.