CID 3045040

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

Structural Information

Molecular Formula
C18H25FN2O2
SMILES
CCC(=O)NC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C18H25FN2O2/c1-2-18(23)20-16-9-12-21(13-10-16)11-3-4-17(22)14-5-7-15(19)8-6-14/h5-8,16H,2-4,9-13H2,1H3,(H,20,23)
InChIKey
HMFBUDPOPMFMOK-UHFFFAOYSA-N
Compound name
N-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

320.19 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19728 178.0
[M+Na]+ 343.17922 180.7
[M-H]- 319.18272 180.3
[M+NH4]+ 338.22382 190.0
[M+K]+ 359.15316 176.7
[M+H-H2O]+ 303.18726 167.9
[M+HCOO]- 365.18820 194.1
[M+CH3COO]- 379.20385 211.1
[M+Na-2H]- 341.16467 176.9
[M]+ 320.18945 173.7
[M]- 320.19055 173.7
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