CID 32723

2-butanone, 1,1-diphenyl-1-hydroxy-4-piperidino-

Structural Information

Molecular Formula
C21H25NO2
SMILES
C1CCN(CC1)CCC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H25NO2/c23-20(14-17-22-15-8-3-9-16-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,24H,3,8-9,14-17H2
InChIKey
NHQUCELQNYNWER-UHFFFAOYSA-N
Compound name
1-hydroxy-1,1-diphenyl-4-piperidin-1-ylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.195816 178.9
[M+Na]+ 346.177758 180.3
[M-H]- 322.181264 183.8
[M+NH4]+ 341.222363 189.4
[M+K]+ 362.151698 175.2
[M+H-H2O]+ 306.185800 169.0
[M+HCOO]- 368.186741 192.9
[M+CH3COO]- 382.202391 204.6
[M+Na-2H]- 344.163206 181.9
[M]+ 323.18799142 172.9
[M]- 323.18908858 172.9
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.