CID 3086836

2-bromo-n-(2-hydroxy-3-(2-naphthalenyloxy)propyl)-n,n-dimethylbenzenemethanaminium bromide

Structural Information

Molecular Formula
C22H25BrNO2
SMILES
C[N+](C)(CC1=CC=CC=C1Br)CC(COC2=CC3=CC=CC=C3C=C2)O
InChI
InChI=1S/C22H25BrNO2/c1-24(2,14-19-9-5-6-10-22(19)23)15-20(25)16-26-21-12-11-17-7-3-4-8-18(17)13-21/h3-13,20,25H,14-16H2,1-2H3/q+1
InChIKey
ZNSQTTNOLSXMFC-UHFFFAOYSA-N
Compound name
(2-bromophenyl)methyl-(2-hydroxy-3-naphthalen-2-yloxypropyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.10687 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.11415 189.9
[M+Na]+ 437.09609 195.9
[M+NH4]+ 432.14069 195.8
[M+K]+ 453.07003 194.0
[M-H]- 413.09959 195.0
[M+Na-2H]- 435.08154 195.8
[M]+ 414.10632 191.7
[M]- 414.10742 191.7
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.