CID 59327

102395-64-2

Structural Information

Molecular Formula
C24H26FNO3
SMILES
CCOC(=O)C1(CCN(CC1)CC(=C)C(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C24H26FNO3/c1-3-29-23(28)24(20-7-5-4-6-8-20)13-15-26(16-14-24)17-18(2)22(27)19-9-11-21(25)12-10-19/h4-12H,2-3,13-17H2,1H3
InChIKey
OMSWQLOXUPDMPC-UHFFFAOYSA-N
Compound name
ethyl 1-[2-(4-fluorobenzoyl)prop-2-enyl]-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.18967 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19695 196.7
[M+Na]+ 418.17889 199.7
[M-H]- 394.18239 202.0
[M+NH4]+ 413.22349 207.0
[M+K]+ 434.15283 194.9
[M+H-H2O]+ 378.18693 185.4
[M+HCOO]- 440.18787 210.3
[M+CH3COO]- 454.20352 221.5
[M+Na-2H]- 416.16434 194.5
[M]+ 395.18912 192.9
[M]- 395.19022 192.9
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.