CID 41276

Butyrophenone, 4'-fluoro-4-(1,2,3,4-tetrahydrobenzofuro(3,2-c)pyridin-2-yl)-, hydrochloride

Structural Information

Molecular Formula
C21H20FNO2
SMILES
C1CN(CC2=C1OC3=CC=CC=C23)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H20FNO2/c22-16-9-7-15(8-10-16)19(24)5-3-12-23-13-11-21-18(14-23)17-4-1-2-6-20(17)25-21/h1-2,4,6-10H,3,5,11-14H2
InChIKey
JOSVCCLTRDUFQA-UHFFFAOYSA-N
Compound name
4-(3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-1-(4-fluorophenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

337.1478 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.15508 179.7
[M+Na]+ 360.13702 187.5
[M-H]- 336.14052 185.8
[M+NH4]+ 355.18162 194.1
[M+K]+ 376.11096 182.3
[M+H-H2O]+ 320.14506 169.9
[M+HCOO]- 382.14600 196.6
[M+CH3COO]- 396.16165 190.1
[M+Na-2H]- 358.12247 182.4
[M]+ 337.14725 180.5
[M]- 337.14835 180.5
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

patents stripe