CID 56587

93203-01-1

Structural Information

Molecular Formula
C15H15NO3
SMILES
C1C(C2=C(C=CC(=C2)O)C(N1)C3=CC=CC=C3O)O
InChI
InChI=1S/C15H15NO3/c17-9-5-6-10-12(7-9)14(19)8-16-15(10)11-3-1-2-4-13(11)18/h1-7,14-19H,8H2
InChIKey
ULPPULDUDQICOV-UHFFFAOYSA-N
Compound name
1-(2-hydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 157.6
[M+Na]+ 280.09442 164.9
[M-H]- 256.09792 158.8
[M+NH4]+ 275.13902 171.5
[M+K]+ 296.06836 158.7
[M+H-H2O]+ 240.10246 150.5
[M+HCOO]- 302.10340 171.7
[M+CH3COO]- 316.11905 167.5
[M+Na-2H]- 278.07987 161.8
[M]+ 257.10465 152.1
[M]- 257.10575 152.1
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.