CID 13331

Dipipanone

Structural Information

Molecular Formula
C24H31NO
SMILES
CCC(=O)C(CC(C)N1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3
InChIKey
SVDHSZFEQYXRDC-UHFFFAOYSA-N
Compound name
4,4-diphenyl-6-piperidin-1-ylheptan-3-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

23
References

10265
Patents

349.24057 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.24785 188.5
[M+Na]+ 372.22979 188.8
[M-H]- 348.23329 194.2
[M+NH4]+ 367.27439 198.5
[M+K]+ 388.20373 183.8
[M+H-H2O]+ 332.23783 178.0
[M+HCOO]- 394.23877 201.8
[M+CH3COO]- 408.25442 214.7
[M+Na-2H]- 370.21524 189.0
[M]+ 349.24002 183.3
[M]- 349.24112 183.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe