CID 56591

93203-05-5

Structural Information

Molecular Formula
C16H17NO3
SMILES
CN1CC(C2=C(C1C3=CC=CC=C3O)C=CC(=C2)O)O
InChI
InChI=1S/C16H17NO3/c1-17-9-15(20)13-8-10(18)6-7-11(13)16(17)12-4-2-3-5-14(12)19/h2-8,15-16,18-20H,9H2,1H3
InChIKey
UXRXBCHVVJVXTP-UHFFFAOYSA-N
Compound name
1-(2-hydroxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.12085 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 162.6
[M+Na]+ 294.11007 176.9
[M+NH4]+ 289.15467 170.5
[M+K]+ 310.08401 170.2
[M-H]- 270.11357 166.0
[M+Na-2H]- 292.09552 168.7
[M]+ 271.12030 165.6
[M]- 271.12140 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.