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]+ 324.19582 178.9
[M+Na]+ 346.17776 180.3
[M-H]- 322.18126 183.8
[M+NH4]+ 341.22236 189.4
[M+K]+ 362.15170 175.2
[M+H-H2O]+ 306.18580 169.0
[M+HCOO]- 368.18674 192.9
[M+CH3COO]- 382.20239 204.6
[M+Na-2H]- 344.16321 181.9
[M]+ 323.18799 172.9
[M]- 323.18909 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.