CID 3027857

Butyrophenone, 2,2-diphenyl-4-piperidino-, hydrobromide

Structural Information

Molecular Formula
C27H29NO
SMILES
C1CCN(CC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H29NO/c29-26(23-13-5-1-6-14-23)27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)19-22-28-20-11-4-12-21-28/h1-3,5-10,13-18H,4,11-12,19-22H2
InChIKey
MVIZFXCTFZFBQI-UHFFFAOYSA-N
Compound name
1,2,2-triphenyl-4-piperidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.2249 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.232176 196.1
[M+Na]+ 406.214118 196.4
[M-H]- 382.217624 204.4
[M+NH4]+ 401.258723 203.9
[M+K]+ 422.188058 189.6
[M+H-H2O]+ 366.222160 183.8
[M+HCOO]- 428.223101 210.2
[M+CH3COO]- 442.238751 202.6
[M+Na-2H]- 404.199566 198.3
[M]+ 383.22435142 189.4
[M]- 383.22544858 189.4
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.