CID 117372

Quinoline, 1,2,3,4-tetrahydro-2-((3,4-dimethoxyphenethylamino)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C20H26N2O2
SMILES
COC1=C(C=C(C=C1)CCNCC2CCC3=CC=CC=C3N2)OC
InChI
InChI=1S/C20H26N2O2/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/h3-7,10,13,17,21-22H,8-9,11-12,14H2,1-2H3
InChIKey
QBDXOHXKZMBGKC-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.19943 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20671 180.8
[M+Na]+ 349.18865 193.8
[M+NH4]+ 344.23325 188.8
[M+K]+ 365.16259 184.9
[M-H]- 325.19215 185.6
[M+Na-2H]- 347.17410 187.6
[M]+ 326.19888 184.0
[M]- 326.19998 184.0
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.