CID 58623

101651-64-3

Structural Information

Molecular Formula
C17H26ClN3O
SMILES
CCN(CCN1CCCCC1)CC(=O)NC2=CC=CC=C2Cl
InChI
InChI=1S/C17H26ClN3O/c1-2-20(12-13-21-10-6-3-7-11-21)14-17(22)19-16-9-5-4-8-15(16)18/h4-5,8-9H,2-3,6-7,10-14H2,1H3,(H,19,22)
InChIKey
FBYQLVQIGLGULT-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[ethyl(2-piperidin-1-ylethyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.17645 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.18373 178.8
[M+Na]+ 346.16567 181.1
[M-H]- 322.16917 183.4
[M+NH4]+ 341.21027 191.9
[M+K]+ 362.13961 176.9
[M+H-H2O]+ 306.17371 169.7
[M+HCOO]- 368.17465 193.9
[M+CH3COO]- 382.19030 214.1
[M+Na-2H]- 344.15112 180.0
[M]+ 323.17590 177.6
[M]- 323.17700 177.6
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.