CID 299334

1-(3',4'-dihydroxybenzyl)-2-n-propyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C19H23NO2
SMILES
CCCN1CCC2=CC=CC=C2C1CC3=CC(=C(C=C3)O)O
InChI
InChI=1S/C19H23NO2/c1-2-10-20-11-9-15-5-3-4-6-16(15)17(20)12-14-7-8-18(21)19(22)13-14/h3-8,13,17,21-22H,2,9-12H2,1H3
InChIKey
BVFYRHOPIDAJOR-UHFFFAOYSA-N
Compound name
4-[(2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.17288 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 172.2
[M+Na]+ 320.16210 178.6
[M-H]- 296.16560 175.3
[M+NH4]+ 315.20670 186.0
[M+K]+ 336.13604 172.6
[M+H-H2O]+ 280.17014 163.7
[M+HCOO]- 342.17108 187.7
[M+CH3COO]- 356.18673 201.8
[M+Na-2H]- 318.14755 174.9
[M]+ 297.17233 170.1
[M]- 297.17343 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.