CID 3052014

2-(3',4'-dimethoxybenzylaminomethyl)-1,2,3,4-tetrahydroquinoline hydrochloride

Structural Information

Molecular Formula
C19H24N2O2
SMILES
COC1=C(C=C(C=C1)CNCC2CCC3=CC=CC=C3N2)OC
InChI
InChI=1S/C19H24N2O2/c1-22-18-10-7-14(11-19(18)23-2)12-20-13-16-9-8-15-5-3-4-6-17(15)21-16/h3-7,10-11,16,20-21H,8-9,12-13H2,1-2H3
InChIKey
VZIQDGCRDIUBJD-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethoxyphenyl)methyl]-1-(1,2,3,4-tetrahydroquinolin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.18378 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 176.2
[M+Na]+ 335.17300 189.5
[M+NH4]+ 330.21760 184.4
[M+K]+ 351.14694 180.9
[M-H]- 311.17650 181.1
[M+Na-2H]- 333.15845 183.3
[M]+ 312.18323 179.5
[M]- 312.18433 179.5
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.