CID 57587

(m-chlorobenzyl)(2-(5-hydroxyindol-3-yl)ethyl)dimethylammonium bromide

Structural Information

Molecular Formula
C19H22ClN2O
SMILES
C[N+](C)(CCC1=CNC2=C1C=C(C=C2)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H21ClN2O/c1-22(2,13-14-4-3-5-16(20)10-14)9-8-15-12-21-19-7-6-17(23)11-18(15)19/h3-7,10-12,21H,8-9,13H2,1-2H3/p+1
InChIKey
OZMUPLPQTHKOFP-UHFFFAOYSA-O
Compound name
(3-chlorophenyl)methyl-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.14206 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14934 176.3
[M+Na]+ 352.13128 193.4
[M+NH4]+ 347.17588 186.3
[M+K]+ 368.10522 186.6
[M-H]- 328.13478 182.6
[M+Na-2H]- 350.11673 185.7
[M]+ 329.14151 181.4
[M]- 329.14261 181.4
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.