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]+ 289.22743 172.7
[M+Na]+ 311.20937 173.7
[M-H]- 287.21287 175.5
[M+NH4]+ 306.25397 185.5
[M+K]+ 327.18331 170.3
[M+H-H2O]+ 271.21741 164.1
[M+HCOO]- 333.21835 187.3
[M+CH3COO]- 347.23400 205.2
[M+Na-2H]- 309.19482 173.5
[M]+ 288.21960 166.7
[M]- 288.22070 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.