CID 5467931

Nsc660153

Structural Information

Molecular Formula
C16H19N2O3P
SMILES
CCOP(=O)(/C(=C/C1=C(NC2=CC=CC=C21)C)/C#N)OCC
InChI
InChI=1S/C16H19N2O3P/c1-4-20-22(19,21-5-2)13(11-17)10-15-12(3)18-16-9-7-6-8-14(15)16/h6-10,18H,4-5H2,1-3H3/b13-10+
InChIKey
WHRMWWOAGROONP-JLHYYAGUSA-N
Compound name
(E)-2-diethoxyphosphoryl-3-(2-methyl-1H-indol-3-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.11334 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12062 175.5
[M+Na]+ 341.10256 185.0
[M-H]- 317.10606 175.5
[M+NH4]+ 336.14716 189.6
[M+K]+ 357.07650 179.7
[M+H-H2O]+ 301.11060 160.0
[M+HCOO]- 363.11154 196.3
[M+CH3COO]- 377.12719 214.7
[M+Na-2H]- 339.08801 175.5
[M]+ 318.11279 174.9
[M]- 318.11389 174.9
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.