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]+ 283.12078 165.3
[M+Na]+ 305.10272 171.1
[M-H]- 281.10622 168.1
[M+NH4]+ 300.14732 179.5
[M+K]+ 321.07666 165.7
[M+H-H2O]+ 265.11076 158.2
[M+HCOO]- 327.11170 178.0
[M+CH3COO]- 341.12735 198.3
[M+Na-2H]- 303.08817 165.5
[M]+ 282.11295 161.9
[M]- 282.11405 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.