CID 16784167

4-chloro-2-(2,6-dimethylpiperidine-1-carbonyl)aniline

Structural Information

Molecular Formula
C14H19ClN2O
SMILES
CC1CCCC(N1C(=O)C2=C(C=CC(=C2)Cl)N)C
InChI
InChI=1S/C14H19ClN2O/c1-9-4-3-5-10(2)17(9)14(18)12-8-11(15)6-7-13(12)16/h6-10H,3-5,16H2,1-2H3
InChIKey
NLBAGVYULQARLP-UHFFFAOYSA-N
Compound name
(2-amino-5-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1186 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12588 162.4
[M+Na]+ 289.10782 169.7
[M-H]- 265.11132 167.0
[M+NH4]+ 284.15242 178.3
[M+K]+ 305.08176 164.5
[M+H-H2O]+ 249.11586 155.4
[M+HCOO]- 311.11680 176.3
[M+CH3COO]- 325.13245 199.7
[M+Na-2H]- 287.09327 162.2
[M]+ 266.11805 159.7
[M]- 266.11915 159.7
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.