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 177.0
[M+Na]+ 330.18282 180.5
[M-H]- 306.18632 183.7
[M+NH4]+ 325.22742 191.2
[M+K]+ 346.15676 175.5
[M+H-H2O]+ 290.19086 166.7
[M+HCOO]- 352.19180 194.0
[M+CH3COO]- 366.20745 186.2
[M+Na-2H]- 328.16827 179.5
[M]+ 307.19305 172.5
[M]- 307.19415 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