CID 3065781

Brn 0251078

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]+ 315.10256 171.5
[M+Na]+ 337.08450 176.5
[M-H]- 313.08800 174.9
[M+NH4]+ 332.12910 185.5
[M+K]+ 353.05844 170.7
[M+H-H2O]+ 297.09254 164.4
[M+HCOO]- 359.09348 179.8
[M+CH3COO]- 373.10913 206.1
[M+Na-2H]- 335.06995 171.4
[M]+ 314.09473 170.1
[M]- 314.09583 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.