CID 500066

Nsc630451

Structural Information

Molecular Formula
C18H21NO3
SMILES
COC1=C(C=C2C(NCCC2=C1)C(C3=CC=CC=C3)O)OC
InChI
InChI=1S/C18H21NO3/c1-21-15-10-13-8-9-19-17(14(13)11-16(15)22-2)18(20)12-6-4-3-5-7-12/h3-7,10-11,17-20H,8-9H2,1-2H3
InChIKey
VJCADSFAKULTBF-UHFFFAOYSA-N
Compound name
(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

299.15213 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 170.4
[M+Na]+ 322.14135 175.8
[M-H]- 298.14485 173.3
[M+NH4]+ 317.18595 183.5
[M+K]+ 338.11529 171.2
[M+H-H2O]+ 282.14939 161.8
[M+HCOO]- 344.15033 185.4
[M+CH3COO]- 358.16598 200.6
[M+Na-2H]- 320.12680 173.3
[M]+ 299.15158 168.3
[M]- 299.15268 168.3
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.