CID 202028

2-(2-piperidinopropoxy)benzophenone methiodide

Structural Information

Molecular Formula
C22H28NO2
SMILES
CC(COC1=CC=CC=C1C(=O)C2=CC=CC=C2)[N+]3(CCCCC3)C
InChI
InChI=1S/C22H28NO2/c1-18(23(2)15-9-4-10-16-23)17-25-21-14-8-7-13-20(21)22(24)19-11-5-3-6-12-19/h3,5-8,11-14,18H,4,9-10,15-17H2,1-2H3/q+1
InChIKey
SGVMTNGWDPLVKZ-UHFFFAOYSA-N
Compound name
[2-[2-(1-methylpiperidin-1-ium-1-yl)propoxy]phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.212 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.21928 186.3
[M+Na]+ 361.20122 188.5
[M-H]- 337.20472 193.0
[M+NH4]+ 356.24582 198.9
[M+K]+ 377.17516 178.7
[M+H-H2O]+ 321.20926 178.6
[M+HCOO]- 383.21020 201.5
[M+CH3COO]- 397.22585 204.2
[M+Na-2H]- 359.18667 189.2
[M]+ 338.21145 181.3
[M]- 338.21255 181.3
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.