CID 25401

2-(2-piperidinopropoxy)benzophenone hydrobromide

Structural Information

Molecular Formula
C21H25NO2
SMILES
CC(COC1=CC=CC=C1C(=O)C2=CC=CC=C2)N3CCCCC3
InChI
InChI=1S/C21H25NO2/c1-17(22-14-8-3-9-15-22)16-24-20-13-7-6-12-19(20)21(23)18-10-4-2-5-11-18/h2,4-7,10-13,17H,3,8-9,14-16H2,1H3
InChIKey
GXXVJKIOCGZKIE-UHFFFAOYSA-N
Compound name
phenyl-[2-(2-piperidin-1-ylpropoxy)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 179.3
[M+Na]+ 346.17776 181.3
[M-H]- 322.18126 185.7
[M+NH4]+ 341.22236 190.5
[M+K]+ 362.15170 177.1
[M+H-H2O]+ 306.18580 168.7
[M+HCOO]- 368.18674 195.4
[M+CH3COO]- 382.20239 208.6
[M+Na-2H]- 344.16321 179.9
[M]+ 323.18799 175.3
[M]- 323.18909 175.3
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.