CID 51615

72512-01-7

Structural Information

Molecular Formula
C18H21NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C2C3=C(C=C(C=C3)O)C(CN2)O
InChI
InChI=1S/C18H21NO5/c1-22-15-6-10(7-16(23-2)18(15)24-3)17-12-5-4-11(20)8-13(12)14(21)9-19-17/h4-8,14,17,19-21H,9H2,1-3H3
InChIKey
CVFNGTJMIOZQEP-UHFFFAOYSA-N
Compound name
1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.14197 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.149246 177.1
[M+Na]+ 354.131188 184.7
[M-H]- 330.134694 179.8
[M+NH4]+ 349.175793 189.0
[M+K]+ 370.105128 180.5
[M+H-H2O]+ 314.139230 168.9
[M+HCOO]- 376.140171 191.8
[M+CH3COO]- 390.155821 205.9
[M+Na-2H]- 352.116636 178.8
[M]+ 331.14142142 178.1
[M]- 331.14251858 178.1
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.