CID 214525

33345-73-2

Structural Information

Molecular Formula
C23H26FNO2
SMILES
CC1=CCN(C(C1)C2=CC=C(C=C2)OC)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C23H26FNO2/c1-17-13-15-25(22(16-17)18-7-11-21(27-2)12-8-18)14-3-4-23(26)19-5-9-20(24)10-6-19/h5-13,22H,3-4,14-16H2,1-2H3
InChIKey
GBKNGDLNARDVOP-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.19476 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.20204 190.8
[M+Na]+ 390.18398 196.2
[M-H]- 366.18748 196.9
[M+NH4]+ 385.22858 201.3
[M+K]+ 406.15792 190.4
[M+H-H2O]+ 350.19202 179.2
[M+HCOO]- 412.19296 207.5
[M+CH3COO]- 426.20861 219.4
[M+Na-2H]- 388.16943 189.6
[M]+ 367.19421 189.8
[M]- 367.19531 189.8
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.