CID 171187

52669-92-8

Structural Information

Molecular Formula
C21H21ClFNO
SMILES
C1CN(CC=C1C2=CC=C(C=C2)Cl)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H21ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-11H,1-2,12-15H2
InChIKey
ZNOLNAPJKOYTHY-UHFFFAOYSA-N
Compound name
4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

349
Patents

357.12958 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13686 184.6
[M+Na]+ 380.11880 190.9
[M-H]- 356.12230 190.3
[M+NH4]+ 375.16340 196.2
[M+K]+ 396.09274 183.1
[M+H-H2O]+ 340.12684 173.8
[M+HCOO]- 402.12778 197.2
[M+CH3COO]- 416.14343 213.8
[M+Na-2H]- 378.10425 184.7
[M]+ 357.12903 183.4
[M]- 357.13013 183.4
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.