CID 216018

Brn 1397118

Structural Information

Molecular Formula
C23H27NO
SMILES
C1CC(C1)C(=O)N2CCC(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H27NO/c25-23(21-12-7-13-21)24-16-14-20(15-17-24)22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-22H,7,12-17H2
InChIKey
AYXXVPVUTVQJPN-UHFFFAOYSA-N
Compound name
(4-benzhydrylpiperidin-1-yl)-cyclobutylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.20926 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21654 178.3
[M+Na]+ 356.19848 178.5
[M-H]- 332.20198 186.6
[M+NH4]+ 351.24308 182.7
[M+K]+ 372.17242 176.7
[M+H-H2O]+ 316.20652 162.0
[M+HCOO]- 378.20746 191.9
[M+CH3COO]- 392.22311 185.7
[M+Na-2H]- 354.18393 177.6
[M]+ 333.20871 179.3
[M]- 333.20981 179.3
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.