CID 11971399

95640-04-3

Structural Information

Molecular Formula
C17H26N2O
SMILES
CC1CC(C(CN1C)C)CCC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C17H26N2O/c1-13-12-19(3)14(2)11-15(13)9-10-17(20)18-16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,18,20)
InChIKey
KWKBMFSUUCUSRE-UHFFFAOYSA-N
Compound name
N-phenyl-3-(1,2,5-trimethylpiperidin-4-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.211776 168.6
[M+Na]+ 297.193718 172.8
[M-H]- 273.197224 172.9
[M+NH4]+ 292.238323 183.2
[M+K]+ 313.167658 169.1
[M+H-H2O]+ 257.201760 160.0
[M+HCOO]- 319.202701 186.7
[M+CH3COO]- 333.218351 204.4
[M+Na-2H]- 295.179166 169.1
[M]+ 274.20395142 165.4
[M]- 274.20504858 165.4
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.