CID 3039077

Brn 1589282

Structural Information

Molecular Formula
C16H22Cl2N2O
SMILES
CCC(C1=CC(=C(C=C1)Cl)Cl)NC(=O)CN2CCCCC2
InChI
InChI=1S/C16H22Cl2N2O/c1-2-15(12-6-7-13(17)14(18)10-12)19-16(21)11-20-8-4-3-5-9-20/h6-7,10,15H,2-5,8-9,11H2,1H3,(H,19,21)
InChIKey
HXJMRVPDAOMHGH-UHFFFAOYSA-N
Compound name
N-[1-(3,4-dichlorophenyl)propyl]-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.11093 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.118206 176.0
[M+Na]+ 351.100148 180.6
[M-H]- 327.103654 179.2
[M+NH4]+ 346.144753 189.4
[M+K]+ 367.074088 174.5
[M+H-H2O]+ 311.108190 168.7
[M+HCOO]- 373.109131 183.9
[M+CH3COO]- 387.124781 209.0
[M+Na-2H]- 349.085596 175.4
[M]+ 328.11038142 175.0
[M]- 328.11147858 175.0
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.