CID 5467930

Nsc660152

Structural Information

Molecular Formula
C17H22NO5P
SMILES
CCOC(=O)/C(=C\C1=CNC2=CC=CC=C21)/P(=O)(OCC)OCC
InChI
InChI=1S/C17H22NO5P/c1-4-21-17(19)16(24(20,22-5-2)23-6-3)11-13-12-18-15-10-8-7-9-14(13)15/h7-12,18H,4-6H2,1-3H3/b16-11+
InChIKey
ZEAQNVIDMHFNIL-LFIBNONCSA-N
Compound name
ethyl (E)-2-diethoxyphosphoryl-3-(1H-indol-3-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.12357 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.13085 184.9
[M+Na]+ 374.11279 190.7
[M-H]- 350.11629 185.2
[M+NH4]+ 369.15739 198.9
[M+K]+ 390.08673 188.0
[M+H-H2O]+ 334.12083 175.4
[M+HCOO]- 396.12177 208.8
[M+CH3COO]- 410.13742 209.0
[M+Na-2H]- 372.09824 184.4
[M]+ 351.12302 191.6
[M]- 351.12412 191.6
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.