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

307
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

literature stripe

Patent stripe

patents stripe