CID 280239

4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol

Structural Information

Molecular Formula
C17H19NO4
SMILES
COC1=C(C=C2C(CNCC2=C1)C3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C17H19NO4/c1-21-16-5-10(3-4-14(16)19)13-9-18-8-11-6-17(22-2)15(20)7-12(11)13/h3-7,13,18-20H,8-9H2,1-2H3
InChIKey
OVSLAHWMVVLOHG-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

301.1314 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.138676 169.6
[M+Na]+ 324.120618 177.0
[M-H]- 300.124124 172.1
[M+NH4]+ 319.165223 182.6
[M+K]+ 340.094558 172.1
[M+H-H2O]+ 284.128660 161.6
[M+HCOO]- 346.129601 184.6
[M+CH3COO]- 360.145251 199.3
[M+Na-2H]- 322.106066 172.5
[M]+ 301.13085142 168.4
[M]- 301.13194858 168.4
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.