CID 751472

4-[(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)methyl]phenol

Structural Information

Molecular Formula
C18H21NO3
SMILES
COC1=C(C=C2CN(CCC2=C1)CC3=CC=C(C=C3)O)OC
InChI
InChI=1S/C18H21NO3/c1-21-17-9-14-7-8-19(12-15(14)10-18(17)22-2)11-13-3-5-16(20)6-4-13/h3-6,9-10,20H,7-8,11-12H2,1-2H3
InChIKey
VZXLAXXEQBQLBP-UHFFFAOYSA-N
Compound name
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

299.15213 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 170.6
[M+Na]+ 322.14135 177.7
[M-H]- 298.14485 175.2
[M+NH4]+ 317.18595 184.8
[M+K]+ 338.11529 173.4
[M+H-H2O]+ 282.14939 161.7
[M+HCOO]- 344.15033 188.1
[M+CH3COO]- 358.16598 203.3
[M+Na-2H]- 320.12680 174.3
[M]+ 299.15158 171.3
[M]- 299.15268 171.3
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

patents stripe