CID 4868410

1049790-47-7

Structural Information

Molecular Formula
C16H23ClN2O2
SMILES
COC1=CC=C(C=C1)C(CNC(=O)CCl)N2CCCCC2
InChI
InChI=1S/C16H23ClN2O2/c1-21-14-7-5-13(6-8-14)15(12-18-16(20)11-17)19-9-3-2-4-10-19/h5-8,15H,2-4,9-12H2,1H3,(H,18,20)
InChIKey
SAHZZPBLZTUWQN-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1448 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15208 173.2
[M+Na]+ 333.13402 176.3
[M-H]- 309.13752 176.7
[M+NH4]+ 328.17862 186.4
[M+K]+ 349.10796 172.0
[M+H-H2O]+ 293.14206 164.8
[M+HCOO]- 355.14300 186.3
[M+CH3COO]- 369.15865 205.7
[M+Na-2H]- 331.11947 174.1
[M]+ 310.14425 171.9
[M]- 310.14535 171.9
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

No patent data available for this compound.