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

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.