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]+ 270.14885 163.1
[M+Na]+ 292.13079 170.5
[M-H]- 268.13429 166.7
[M+NH4]+ 287.17539 178.1
[M+K]+ 308.10473 164.9
[M+H-H2O]+ 252.13883 155.1
[M+HCOO]- 314.13977 179.4
[M+CH3COO]- 328.15542 173.6
[M+Na-2H]- 290.11624 167.0
[M]+ 269.14102 160.4
[M]- 269.14212 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