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 178.9
[M+Na]+ 349.18865 183.4
[M-H]- 325.19215 182.6
[M+NH4]+ 344.23325 191.4
[M+K]+ 365.16259 177.9
[M+H-H2O]+ 309.19669 169.3
[M+HCOO]- 371.19763 196.6
[M+CH3COO]- 385.21328 211.0
[M+Na-2H]- 347.17410 182.9
[M]+ 326.19888 177.8
[M]- 326.19998 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.