CID 280239

Nsc131691

Structural Information

Molecular Formula
C17H19NO4
SMILES
COC1=C(C=C2C(CNCC2=C1)C3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C17H19NO4/c1-21-16-5-10(3-4-14(16)19)13-9-18-8-11-6-17(22-2)15(20)7-12(11)13/h3-7,13,18-20H,8-9H2,1-2H3
InChIKey
OVSLAHWMVVLOHG-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

301.1314 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13868 169.6
[M+Na]+ 324.12062 177.0
[M-H]- 300.12412 172.1
[M+NH4]+ 319.16522 182.6
[M+K]+ 340.09456 172.1
[M+H-H2O]+ 284.12866 161.6
[M+HCOO]- 346.12960 184.6
[M+CH3COO]- 360.14525 199.3
[M+Na-2H]- 322.10607 172.5
[M]+ 301.13085 168.4
[M]- 301.13195 168.4
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.