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]+ 308.200876 177.0
[M+Na]+ 330.182818 180.5
[M-H]- 306.186324 183.7
[M+NH4]+ 325.227423 191.2
[M+K]+ 346.156758 175.5
[M+H-H2O]+ 290.190860 166.7
[M+HCOO]- 352.191801 194.0
[M+CH3COO]- 366.207451 186.2
[M+Na-2H]- 328.168266 179.5
[M]+ 307.19305142 172.5
[M]- 307.19414858 172.5
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