CID 6857

Dimethisoquin

Structural Information

Molecular Formula
C17H24N2O
SMILES
CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)C
InChI
InChI=1S/C17H24N2O/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3
InChIKey
XNMYNYSCEJBRPZ-UHFFFAOYSA-N
Compound name
2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

32
References

8609
Patents

272.18887 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.19615 166.2
[M+Na]+ 295.17809 179.5
[M+NH4]+ 290.22269 174.8
[M+K]+ 311.15203 171.0
[M-H]- 271.18159 169.8
[M+Na-2H]- 293.16354 173.0
[M]+ 272.18832 169.2
[M]- 272.18942 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe