CID 58593

101651-38-1

Structural Information

Molecular Formula
C17H26N2O
SMILES
CC1CCCCN1CC(=O)NC(C)CC2=CC=CC=C2
InChI
InChI=1S/C17H26N2O/c1-14(12-16-9-4-3-5-10-16)18-17(20)13-19-11-7-6-8-15(19)2/h3-5,9-10,14-15H,6-8,11-13H2,1-2H3,(H,18,20)
InChIKey
LLQYOAIKPDCKPQ-UHFFFAOYSA-N
Compound name
2-(2-methylpiperidin-1-yl)-N-(1-phenylpropan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21178 168.7
[M+Na]+ 297.19372 170.7
[M-H]- 273.19722 172.3
[M+NH4]+ 292.23832 182.6
[M+K]+ 313.16766 167.5
[M+H-H2O]+ 257.20176 159.8
[M+HCOO]- 319.20270 185.9
[M+CH3COO]- 333.21835 202.9
[M+Na-2H]- 295.17917 169.5
[M]+ 274.20395 164.1
[M]- 274.20505 164.1
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.