CID 217068

38085-10-8

Structural Information

Molecular Formula
C19H23NO4
SMILES
COC1=CC(=CC(=C1OC)OC)CC2C3=C(CCN2)C=C(C=C3)O
InChI
InChI=1S/C19H23NO4/c1-22-17-9-12(10-18(23-2)19(17)24-3)8-16-15-5-4-14(21)11-13(15)6-7-20-16/h4-5,9-11,16,20-21H,6-8H2,1-3H3
InChIKey
BTVXBTHFCHQBCB-UHFFFAOYSA-N
Compound name
1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

329.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 178.9
[M+Na]+ 352.15194 192.7
[M+NH4]+ 347.19654 186.1
[M+K]+ 368.12588 185.5
[M-H]- 328.15544 182.2
[M+Na-2H]- 350.13739 184.4
[M]+ 329.16217 181.8
[M]- 329.16327 181.8
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