CID 41278

4'-fluoro-4-(4-methyl-1,2,3,4-tetrahydrobenzofuro(3,2-c)pyridin-2-yl)butyrophenone hcl

Structural Information

Molecular Formula
C22H22FNO2
SMILES
CC1CN(CC2=C1OC3=CC=CC=C23)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H22FNO2/c1-15-13-24(12-4-6-20(25)16-8-10-17(23)11-9-16)14-19-18-5-2-3-7-21(18)26-22(15)19/h2-3,5,7-11,15H,4,6,12-14H2,1H3
InChIKey
OFAYUNJQWVGYAN-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-(4-methyl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.16345 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17073 184.9
[M+Na]+ 374.15267 193.2
[M-H]- 350.15617 191.2
[M+NH4]+ 369.19727 199.0
[M+K]+ 390.12661 187.8
[M+H-H2O]+ 334.16071 175.1
[M+HCOO]- 396.16165 201.4
[M+CH3COO]- 410.17730 195.2
[M+Na-2H]- 372.13812 186.3
[M]+ 351.16290 186.5
[M]- 351.16400 186.5
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.