CID 8938

Ketone, bromomethyl 4-(diphenylhydroxymethyl)piperidino

Structural Information

Molecular Formula
C20H22BrNO2
SMILES
C1CN(CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(=O)CBr
InChI
InChI=1S/C20H22BrNO2/c21-15-19(23)22-13-11-18(12-14-22)20(24,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18,24H,11-15H2
InChIKey
HIDNFGJRJQKLLL-UHFFFAOYSA-N
Compound name
2-bromo-1-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.0834 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.09068 187.0
[M+Na]+ 410.07262 192.6
[M-H]- 386.07612 194.7
[M+NH4]+ 405.11722 199.4
[M+K]+ 426.04656 180.3
[M+H-H2O]+ 370.08066 184.6
[M+HCOO]- 432.08160 199.4
[M+CH3COO]- 446.09725 210.5
[M+Na-2H]- 408.05807 190.4
[M]+ 387.08285 200.1
[M]- 387.08395 200.1
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.