CID 55699

(p-bromophenacyl)dimethyl(2-hydroxy-3-(1-naphthyloxy)propyl)ammonium bromide

Structural Information

Molecular Formula
C23H25BrNO3
SMILES
C[N+](C)(CC(COC1=CC=CC2=CC=CC=C21)O)CC(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C23H25BrNO3/c1-25(2,15-22(27)18-10-12-19(24)13-11-18)14-20(26)16-28-23-9-5-7-17-6-3-4-8-21(17)23/h3-13,20,26H,14-16H2,1-2H3/q+1
InChIKey
GVGSKKGZJZBXCA-UHFFFAOYSA-N
Compound name
[2-(4-bromophenyl)-2-oxoethyl]-(2-hydroxy-3-naphthalen-1-yloxypropyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.10178 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.10906 203.7
[M+Na]+ 465.09100 210.1
[M-H]- 441.09450 212.5
[M+NH4]+ 460.13560 216.7
[M+K]+ 481.06494 193.3
[M+H-H2O]+ 425.09904 203.4
[M+HCOO]- 487.09998 219.5
[M+CH3COO]- 501.11563 221.6
[M+Na-2H]- 463.07645 209.8
[M]+ 442.10123 223.1
[M]- 442.10233 223.1
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.