CID 421243

4-(8-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)benzene-1,2-diol

Structural Information

Molecular Formula
C16H17NO4
SMILES
COC1=C(C2=C(C=C1)C(CNC2)C3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C16H17NO4/c1-21-15-5-3-10-11(7-17-8-12(10)16(15)20)9-2-4-13(18)14(19)6-9/h2-6,11,17-20H,7-8H2,1H3
InChIKey
HCSVOIBUMVAWST-UHFFFAOYSA-N
Compound name
4-(8-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.11575 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12303 165.4
[M+Na]+ 310.10497 172.9
[M-H]- 286.10847 166.7
[M+NH4]+ 305.14957 178.2
[M+K]+ 326.07891 167.3
[M+H-H2O]+ 270.11301 158.0
[M+HCOO]- 332.11395 179.2
[M+CH3COO]- 346.12960 194.2
[M+Na-2H]- 308.09042 168.4
[M]+ 287.11520 162.1
[M]- 287.11630 162.1
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.