CID 3065815

Brn 0230689

Structural Information

Molecular Formula
C15H21ClN2O
SMILES
CC(CC(=O)NC1=CC=CC=C1Cl)N2CCCCC2
InChI
InChI=1S/C15H21ClN2O/c1-12(18-9-5-2-6-10-18)11-15(19)17-14-8-4-3-7-13(14)16/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,17,19)
InChIKey
UHQYBUSTFNHKOQ-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-3-piperidin-1-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13425 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14153 166.1
[M+Na]+ 303.12347 169.7
[M-H]- 279.12697 169.8
[M+NH4]+ 298.16807 180.6
[M+K]+ 319.09741 165.1
[M+H-H2O]+ 263.13151 158.1
[M+HCOO]- 325.13245 179.3
[M+CH3COO]- 339.14810 200.6
[M+Na-2H]- 301.10892 167.4
[M]+ 280.13370 163.0
[M]- 280.13480 163.0
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.