CID 79790

Quinoline, 2-((3,4-dimethoxyphenethylamino)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C20H22N2O2
SMILES
COC1=C(C=C(C=C1)CCNCC2=NC3=CC=CC=C3C=C2)OC
InChI
InChI=1S/C20H22N2O2/c1-23-19-10-7-15(13-20(19)24-2)11-12-21-14-17-9-8-16-5-3-4-6-18(16)22-17/h3-10,13,21H,11-12,14H2,1-2H3
InChIKey
WHQBOHYVTSHKSR-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-N-(quinolin-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.16812 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 177.3
[M+Na]+ 345.15734 184.3
[M-H]- 321.16084 183.2
[M+NH4]+ 340.20194 190.8
[M+K]+ 361.13128 179.3
[M+H-H2O]+ 305.16538 167.3
[M+HCOO]- 367.16632 199.4
[M+CH3COO]- 381.18197 212.6
[M+Na-2H]- 343.14279 183.6
[M]+ 322.16757 180.8
[M]- 322.16867 180.8
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.