CID 18111

Brn 1349273

Structural Information

Molecular Formula
C18H28N2O
SMILES
CC(C)C(CCN1CCCCC1)(C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C18H28N2O/c1-15(2)18(17(19)21,16-9-5-3-6-10-16)11-14-20-12-7-4-8-13-20/h3,5-6,9-10,15H,4,7-8,11-14H2,1-2H3,(H2,19,21)
InChIKey
GAGIXICTGYVZBX-UHFFFAOYSA-N
Compound name
3-methyl-2-phenyl-2-(2-piperidin-1-ylethyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.227426 172.7
[M+Na]+ 311.209368 173.7
[M-H]- 287.212874 175.5
[M+NH4]+ 306.253973 185.5
[M+K]+ 327.183308 170.3
[M+H-H2O]+ 271.217410 164.1
[M+HCOO]- 333.218351 187.3
[M+CH3COO]- 347.234001 205.2
[M+Na-2H]- 309.194816 173.5
[M]+ 288.21960142 166.7
[M]- 288.22069858 166.7
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.