CID 16771406

3-chloro-4-(2-methylpiperidine-1-carbonyl)aniline

Structural Information

Molecular Formula
C13H17ClN2O
SMILES
CC1CCCCN1C(=O)C2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C13H17ClN2O/c1-9-4-2-3-7-16(9)13(17)11-6-5-10(15)8-12(11)14/h5-6,8-9H,2-4,7,15H2,1H3
InChIKey
PPPHIROXFGRYPL-UHFFFAOYSA-N
Compound name
(4-amino-2-chlorophenyl)-(2-methylpiperidin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.10294 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11022 156.5
[M+Na]+ 275.09216 169.4
[M+NH4]+ 270.13676 165.0
[M+K]+ 291.06610 162.3
[M-H]- 251.09566 160.6
[M+Na-2H]- 273.07761 163.1
[M]+ 252.10239 159.7
[M]- 252.10349 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.