CID 3065781

108839-71-0

Structural Information

Molecular Formula
C15H20Cl2N2O
SMILES
CC(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)N2CCCCC2
InChI
InChI=1S/C15H20Cl2N2O/c1-11(19-7-3-2-4-8-19)9-15(20)18-14-10-12(16)5-6-13(14)17/h5-6,10-11H,2-4,7-9H2,1H3,(H,18,20)
InChIKey
VPLQSZHECBNQKM-UHFFFAOYSA-N
Compound name
N-(2,5-dichlorophenyl)-3-piperidin-1-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.09528 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.102556 171.5
[M+Na]+ 337.084498 176.5
[M-H]- 313.088004 174.9
[M+NH4]+ 332.129103 185.5
[M+K]+ 353.058438 170.7
[M+H-H2O]+ 297.092540 164.4
[M+HCOO]- 359.093481 179.8
[M+CH3COO]- 373.109131 206.1
[M+Na-2H]- 335.069946 171.4
[M]+ 314.09473142 170.1
[M]- 314.09582858 170.1
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.