CID 16788197

2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]ethan-1-ol

Structural Information

Molecular Formula
C14H19ClN2O2
SMILES
C1CCN(C(C1)CCO)C(=O)C2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C14H19ClN2O2/c15-10-4-5-12(13(16)9-10)14(19)17-7-2-1-3-11(17)6-8-18/h4-5,9,11,18H,1-3,6-8,16H2
InChIKey
VFKLFZCRLFGJSF-UHFFFAOYSA-N
Compound name
(2-amino-4-chlorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1135 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.120776 165.3
[M+Na]+ 305.102718 171.1
[M-H]- 281.106224 168.1
[M+NH4]+ 300.147323 179.5
[M+K]+ 321.076658 165.7
[M+H-H2O]+ 265.110760 158.2
[M+HCOO]- 327.111701 178.0
[M+CH3COO]- 341.127351 198.3
[M+Na-2H]- 303.088166 165.5
[M]+ 282.11295142 161.9
[M]- 282.11404858 161.9
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.