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]+ 298.180156 172.2
[M+Na]+ 320.162098 178.6
[M-H]- 296.165604 175.3
[M+NH4]+ 315.206703 186.0
[M+K]+ 336.136038 172.6
[M+H-H2O]+ 280.170140 163.7
[M+HCOO]- 342.171081 187.7
[M+CH3COO]- 356.186731 201.8
[M+Na-2H]- 318.147546 174.9
[M]+ 297.17233142 170.1
[M]- 297.17342858 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.