CID 56593

93203-06-6

Structural Information

Molecular Formula
C17H19NO3
SMILES
CN1CC(C2=C(C1C3=CC=C(C=C3)OC)C=CC(=C2)O)O
InChI
InChI=1S/C17H19NO3/c1-18-10-16(20)15-9-12(19)5-8-14(15)17(18)11-3-6-13(21-2)7-4-11/h3-9,16-17,19-20H,10H2,1-2H3
InChIKey
BOYNICYTCVAJOW-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1365 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 166.5
[M+Na]+ 308.12572 174.6
[M-H]- 284.12922 170.4
[M+NH4]+ 303.17032 181.0
[M+K]+ 324.09966 169.7
[M+H-H2O]+ 268.13376 158.4
[M+HCOO]- 330.13470 182.9
[M+CH3COO]- 344.15035 199.3
[M+Na-2H]- 306.11117 169.7
[M]+ 285.13595 165.6
[M]- 285.13705 165.6
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.