CID 5382121

Nsc133841

Structural Information

Molecular Formula
C22H27O6P
SMILES
CCOC(=O)/C(=C\C1=CC=C(C=C1)OCC2=CC=CC=C2)/P(=O)(OCC)OCC
InChI
InChI=1S/C22H27O6P/c1-4-25-22(23)21(29(24,27-5-2)28-6-3)16-18-12-14-20(15-13-18)26-17-19-10-8-7-9-11-19/h7-16H,4-6,17H2,1-3H3/b21-16+
InChIKey
PINJHIYMAJUHJH-LTGZKZEYSA-N
Compound name
ethyl (E)-2-diethoxyphosphoryl-3-(4-phenylmethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1545 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16178 202.3
[M+Na]+ 441.14372 205.5
[M-H]- 417.14722 206.5
[M+NH4]+ 436.18832 212.2
[M+K]+ 457.11766 203.5
[M+H-H2O]+ 401.15176 190.6
[M+HCOO]- 463.15270 227.0
[M+CH3COO]- 477.16835 224.4
[M+Na-2H]- 439.12917 200.4
[M]+ 418.15395 210.0
[M]- 418.15505 210.0
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.