CID 5380654

Ethyl 2-(diethoxyphosphoryl)-3-(3,4-dimethoxyphenyl)acrylate

Structural Information

Molecular Formula
C17H25O7P
SMILES
CCOC(=O)/C(=C\C1=CC(=C(C=C1)OC)OC)/P(=O)(OCC)OCC
InChI
InChI=1S/C17H25O7P/c1-6-22-17(18)16(25(19,23-7-2)24-8-3)12-13-9-10-14(20-4)15(11-13)21-5/h9-12H,6-8H2,1-5H3/b16-12+
InChIKey
CRKMCAWVSBUKPJ-FOWTUZBSSA-N
Compound name
ethyl (E)-2-diethoxyphosphoryl-3-(3,4-dimethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1338 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.14108 186.1
[M+Na]+ 395.12302 191.4
[M-H]- 371.12652 188.1
[M+NH4]+ 390.16762 198.9
[M+K]+ 411.09696 191.5
[M+H-H2O]+ 355.13106 176.6
[M+HCOO]- 417.13200 211.6
[M+CH3COO]- 431.14765 217.1
[M+Na-2H]- 393.10847 184.6
[M]+ 372.13325 197.2
[M]- 372.13435 197.2
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.