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]+ 258.112476 157.6
[M+Na]+ 280.094418 164.9
[M-H]- 256.097924 158.8
[M+NH4]+ 275.139023 171.5
[M+K]+ 296.068358 158.7
[M+H-H2O]+ 240.102460 150.5
[M+HCOO]- 302.103401 171.7
[M+CH3COO]- 316.119051 167.5
[M+Na-2H]- 278.079866 161.8
[M]+ 257.10465142 152.1
[M]- 257.10574858 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.