CID 3060536

C 3138

Structural Information

Molecular Formula
C15H21ClN2O
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)CCN2CCCCC2
InChI
InChI=1S/C15H21ClN2O/c1-12-6-5-7-13(16)15(12)17-14(19)8-11-18-9-3-2-4-10-18/h5-7H,2-4,8-11H2,1H3,(H,17,19)
InChIKey
KXKSINKVCHSCGG-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-3-piperidin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13425 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14153 166.3
[M+Na]+ 303.12347 171.2
[M-H]- 279.12697 170.3
[M+NH4]+ 298.16807 181.2
[M+K]+ 319.09741 166.1
[M+H-H2O]+ 263.13151 158.4
[M+HCOO]- 325.13245 180.5
[M+CH3COO]- 339.14810 200.9
[M+Na-2H]- 301.10892 168.1
[M]+ 280.13370 164.2
[M]- 280.13480 164.2
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

patents stripe