CID 319379

Nsc263519

Structural Information

Molecular Formula
C14H18NO4P
SMILES
CCOP(=O)(CC(=O)C1=CC2=CC=CC=C2N1)OCC
InChI
InChI=1S/C14H18NO4P/c1-3-18-20(17,19-4-2)10-14(16)13-9-11-7-5-6-8-12(11)15-13/h5-9,15H,3-4,10H2,1-2H3
InChIKey
IHWNYLCGGXVWIN-UHFFFAOYSA-N
Compound name
2-diethoxyphosphoryl-1-(1H-indol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.09735 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10463 169.3
[M+Na]+ 318.08657 176.6
[M-H]- 294.09007 170.0
[M+NH4]+ 313.13117 185.8
[M+K]+ 334.06051 173.8
[M+H-H2O]+ 278.09461 160.2
[M+HCOO]- 340.09555 194.9
[M+CH3COO]- 354.11120 199.3
[M+Na-2H]- 316.07202 171.2
[M]+ 295.09680 175.0
[M]- 295.09790 175.0
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.