CID 58627

101651-66-5

Structural Information

Molecular Formula
C16H24ClN3O
SMILES
CN(CCN1CCCCC1)CC(=O)NC2=CC=CC=C2Cl
InChI
InChI=1S/C16H24ClN3O/c1-19(11-12-20-9-5-2-6-10-20)13-16(21)18-15-8-4-3-7-14(15)17/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,18,21)
InChIKey
VRMLFHWWHYMMIE-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.1608 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16808 174.4
[M+Na]+ 332.15002 177.1
[M-H]- 308.15352 179.2
[M+NH4]+ 327.19462 188.0
[M+K]+ 348.12396 173.1
[M+H-H2O]+ 292.15806 165.4
[M+HCOO]- 354.15900 189.8
[M+CH3COO]- 368.17465 211.1
[M+Na-2H]- 330.13547 176.0
[M]+ 309.16025 172.8
[M]- 309.16135 172.8
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