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]+ 327.206706 178.9
[M+Na]+ 349.188648 183.4
[M-H]- 325.192154 182.6
[M+NH4]+ 344.233253 191.4
[M+K]+ 365.162588 177.9
[M+H-H2O]+ 309.196690 169.3
[M+HCOO]- 371.197631 196.6
[M+CH3COO]- 385.213281 211.0
[M+Na-2H]- 347.174096 182.9
[M]+ 326.19888142 177.8
[M]- 326.19997858 177.8
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.