CID 487554

12-o-methylcoclaurine

Structural Information

Molecular Formula
C18H21NO3
SMILES
COC1=CC=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)O
InChI
InChI=1S/C18H21NO3/c1-21-14-5-3-12(4-6-14)9-16-15-11-17(20)18(22-2)10-13(15)7-8-19-16/h3-6,10-11,16,19-20H,7-9H2,1-2H3
InChIKey
XIEZJSPLHXEHSK-UHFFFAOYSA-N
Compound name
6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol
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 170.7
[M+Na]+ 322.14135 177.4
[M-H]- 298.14485 174.0
[M+NH4]+ 317.18595 184.3
[M+K]+ 338.11529 172.3
[M+H-H2O]+ 282.14939 162.2
[M+HCOO]- 344.15033 186.7
[M+CH3COO]- 358.16598 201.0
[M+Na-2H]- 320.12680 174.1
[M]+ 299.15158 169.7
[M]- 299.15268 169.7
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.