CID 83290559

1400636-78-3

Structural Information

Molecular Formula
C16H18FNO4
SMILES
CCOC(=O)C1C(=O)CCN(C1=O)CCC2=CC=C(C=C2)F
InChI
InChI=1S/C16H18FNO4/c1-2-22-16(21)14-13(19)8-10-18(15(14)20)9-7-11-3-5-12(17)6-4-11/h3-6,14H,2,7-10H2,1H3
InChIKey
QGAKSXWZSMWYJM-UHFFFAOYSA-N
Compound name
ethyl 1-[2-(4-fluorophenyl)ethyl]-2,4-dioxopiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.12198 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12926 168.6
[M+Na]+ 330.11120 175.4
[M-H]- 306.11470 172.2
[M+NH4]+ 325.15580 182.1
[M+K]+ 346.08514 172.1
[M+H-H2O]+ 290.11924 159.4
[M+HCOO]- 352.12018 186.0
[M+CH3COO]- 366.13583 205.2
[M+Na-2H]- 328.09665 168.3
[M]+ 307.12143 168.1
[M]- 307.12253 168.1
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.