CID 5468399

Nsc669626

Structural Information

Molecular Formula
C18H22NO5P
SMILES
CCOC(=O)/C(=C/C1=CN(C2=CC=CC=C21)C(=O)C)/P(=O)(C)OCC
InChI
InChI=1S/C18H22NO5P/c1-5-23-18(21)17(25(4,22)24-6-2)11-14-12-19(13(3)20)16-10-8-7-9-15(14)16/h7-12H,5-6H2,1-4H3/b17-11-
InChIKey
XNEKNLQBLPJNNT-BOPFTXTBSA-N
Compound name
ethyl (Z)-3-(1-acetylindol-3-yl)-2-[ethoxy(methyl)phosphoryl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.12357 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.13085 186.2
[M+Na]+ 386.11279 193.1
[M-H]- 362.11629 188.4
[M+NH4]+ 381.15739 200.8
[M+K]+ 402.08673 191.1
[M+H-H2O]+ 346.12083 177.1
[M+HCOO]- 408.12177 210.6
[M+CH3COO]- 422.13742 214.9
[M+Na-2H]- 384.09824 184.2
[M]+ 363.12302 194.3
[M]- 363.12412 194.3
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.