CID 3045038

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

Structural Information

Molecular Formula
C17H23FN2O2
SMILES
CC(=O)NC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C17H23FN2O2/c1-13(21)19-16-8-11-20(12-9-16)10-2-3-17(22)14-4-6-15(18)7-5-14/h4-7,16H,2-3,8-12H2,1H3,(H,19,21)
InChIKey
SLRLMGXBYCSVOC-UHFFFAOYSA-N
Compound name
N-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.17435 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18163 173.5
[M+Na]+ 329.16357 176.6
[M-H]- 305.16707 176.0
[M+NH4]+ 324.20817 186.1
[M+K]+ 345.13751 172.9
[M+H-H2O]+ 289.17161 163.6
[M+HCOO]- 351.17255 189.9
[M+CH3COO]- 365.18820 208.1
[M+Na-2H]- 327.14902 172.9
[M]+ 306.17380 168.9
[M]- 306.17490 168.9
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