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

141
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]+ 330.169996 178.4
[M+Na]+ 352.151938 185.3
[M-H]- 328.155444 181.8
[M+NH4]+ 347.196543 190.9
[M+K]+ 368.125878 180.8
[M+H-H2O]+ 312.159980 169.6
[M+HCOO]- 374.160921 194.2
[M+CH3COO]- 388.176571 207.4
[M+Na-2H]- 350.137386 180.6
[M]+ 329.16217142 179.5
[M]- 329.16326858 179.5
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