CID 24843828

C 3140

Structural Information

Molecular Formula
C17H25ClN2O
SMILES
CC1CCCC(N1CCC(=O)NC2=C(C=CC=C2Cl)C)C
InChI
InChI=1S/C17H25ClN2O/c1-12-6-4-9-15(18)17(12)19-16(21)10-11-20-13(2)7-5-8-14(20)3/h4,6,9,13-14H,5,7-8,10-11H2,1-3H3,(H,19,21)
InChIKey
UVKVPLHWHTUNAF-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.16553 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.17281 175.3
[M+Na]+ 331.15475 181.2
[M-H]- 307.15825 179.8
[M+NH4]+ 326.19935 189.8
[M+K]+ 347.12869 175.7
[M+H-H2O]+ 291.16279 167.6
[M+HCOO]- 353.16373 188.9
[M+CH3COO]- 367.17938 209.3
[M+Na-2H]- 329.14020 174.6
[M]+ 308.16498 174.7
[M]- 308.16608 174.7
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.