CID 5467933

Nsc660155

Structural Information

Molecular Formula
C18H24NO5P
SMILES
CCOC(=O)/C(=C\C1=C(NC2=CC=CC=C21)C)/P(=O)(OCC)OCC
InChI
InChI=1S/C18H24NO5P/c1-5-22-18(20)17(25(21,23-6-2)24-7-3)12-15-13(4)19-16-11-9-8-10-14(15)16/h8-12,19H,5-7H2,1-4H3/b17-12+
InChIKey
CNGWCJAGUQAUDZ-SFQUDFHCSA-N
Compound name
ethyl (E)-2-diethoxyphosphoryl-3-(2-methyl-1H-indol-3-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.13922 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.14650 189.0
[M+Na]+ 388.12844 195.3
[M-H]- 364.13194 189.6
[M+NH4]+ 383.17304 202.8
[M+K]+ 404.10238 192.5
[M+H-H2O]+ 348.13648 179.7
[M+HCOO]- 410.13742 212.6
[M+CH3COO]- 424.15307 213.2
[M+Na-2H]- 386.11389 187.5
[M]+ 365.13867 196.5
[M]- 365.13977 196.5
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.