CID 216040

Brn 1394981

Structural Information

Molecular Formula
C23H29NO
SMILES
CC(C)(C)C(=O)N1CCC(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO/c1-23(2,3)22(25)24-16-14-20(15-17-24)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-21H,14-17H2,1-3H3
InChIKey
LJKZRLLHXPYRNT-UHFFFAOYSA-N
Compound name
1-(4-benzhydrylpiperidin-1-yl)-2,2-dimethylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.2249 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.23218 184.2
[M+Na]+ 358.21412 186.2
[M-H]- 334.21762 190.7
[M+NH4]+ 353.25872 195.5
[M+K]+ 374.18806 181.5
[M+H-H2O]+ 318.22216 174.3
[M+HCOO]- 380.22310 198.0
[M+CH3COO]- 394.23875 211.6
[M+Na-2H]- 356.19957 184.7
[M]+ 335.22435 179.1
[M]- 335.22545 179.1
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.