CID 129687

E-2001 free

Structural Information

Molecular Formula
C24H22FNO2
SMILES
C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CC(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C24H22FNO2/c25-22-9-7-18(8-10-22)24(28)19-11-13-26(14-12-19)16-23(27)21-6-5-17-3-1-2-4-20(17)15-21/h1-10,15,19H,11-14,16H2
InChIKey
WPFPDSUMDURRRW-UHFFFAOYSA-N
Compound name
2-[4-(4-fluorobenzoyl)piperidin-1-yl]-1-naphthalen-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

44
Patents

375.16345 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.17073 192.4
[M+Na]+ 398.15267 206.6
[M+NH4]+ 393.19727 200.0
[M+K]+ 414.12661 197.5
[M-H]- 374.15617 197.5
[M+Na-2H]- 396.13812 200.4
[M]+ 375.16290 195.9
[M]- 375.16400 195.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe