CID 3044542

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

Structural Information

Molecular Formula
C17H19NO2
SMILES
CN1CCC2=CC=CC=C2C1CC3=CC(=C(C=C3)O)O
InChI
InChI=1S/C17H19NO2/c1-18-9-8-13-4-2-3-5-14(13)15(18)10-12-6-7-16(19)17(20)11-12/h2-7,11,15,19-20H,8-10H2,1H3
InChIKey
VTMIKDAJLJGGJK-UHFFFAOYSA-N
Compound name
4-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.14157 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.148846 163.1
[M+Na]+ 292.130788 170.5
[M-H]- 268.134294 166.7
[M+NH4]+ 287.175393 178.1
[M+K]+ 308.104728 164.9
[M+H-H2O]+ 252.138830 155.1
[M+HCOO]- 314.139771 179.4
[M+CH3COO]- 328.155421 173.6
[M+Na-2H]- 290.116236 167.0
[M]+ 269.14102142 160.4
[M]- 269.14211858 160.4
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

patents stripe