CID 3021762

2-butanone, 4-(4,4-diphenyl-1-piperidinyl)-

Structural Information

Molecular Formula
C21H25NO
SMILES
CC(=O)CCN1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO/c1-18(23)12-15-22-16-13-21(14-17-22,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11H,12-17H2,1H3
InChIKey
CQFMKKDCMBTQPS-UHFFFAOYSA-N
Compound name
4-(4,4-diphenylpiperidin-1-yl)butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

307.1936 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 177.8
[M+Na]+ 330.18282 192.1
[M+NH4]+ 325.22742 188.0
[M+K]+ 346.15676 180.8
[M-H]- 306.18632 184.3
[M+Na-2H]- 328.16827 189.1
[M]+ 307.19305 182.0
[M]- 307.19415 182.0
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

patents stripe