CID 3045042

Propanamide, n-(1-(4-(4-fluorophenyl)-4-oxobutyl)-4-piperidinyl)-2-methyl-, monohydrochloride

Structural Information

Molecular Formula
C19H27FN2O2
SMILES
CC(C)C(=O)NC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C19H27FN2O2/c1-14(2)19(24)21-17-9-12-22(13-10-17)11-3-4-18(23)15-5-7-16(20)8-6-15/h5-8,14,17H,3-4,9-13H2,1-2H3,(H,21,24)
InChIKey
IKWQCTVHARFQNH-UHFFFAOYSA-N
Compound name
N-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

334.20566 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21294 182.4
[M+Na]+ 357.19488 184.4
[M-H]- 333.19838 184.6
[M+NH4]+ 352.23948 193.7
[M+K]+ 373.16882 180.8
[M+H-H2O]+ 317.20292 172.3
[M+HCOO]- 379.20386 197.1
[M+CH3COO]- 393.21951 215.0
[M+Na-2H]- 355.18033 179.6
[M]+ 334.20511 177.9
[M]- 334.20621 177.9
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