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]+ 332.14925 177.1
[M+Na]+ 354.13119 184.7
[M-H]- 330.13469 179.8
[M+NH4]+ 349.17579 189.0
[M+K]+ 370.10513 180.5
[M+H-H2O]+ 314.13923 168.9
[M+HCOO]- 376.14017 191.8
[M+CH3COO]- 390.15582 205.9
[M+Na-2H]- 352.11664 178.8
[M]+ 331.14142 178.1
[M]- 331.14252 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.