CID 3070965

87203-96-1

Structural Information

Molecular Formula
C16H17NO2
SMILES
CC1=CC=C(C=C1)C2CC3=CC(=C(C=C3CN2)O)O
InChI
InChI=1S/C16H17NO2/c1-10-2-4-11(5-3-10)14-6-12-7-15(18)16(19)8-13(12)9-17-14/h2-5,7-8,14,17-19H,6,9H2,1H3
InChIKey
ADZWPLBRSZUUJP-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

255.12593 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 158.9
[M+Na]+ 278.11515 166.3
[M-H]- 254.11865 161.2
[M+NH4]+ 273.15975 173.7
[M+K]+ 294.08909 160.0
[M+H-H2O]+ 238.12319 151.5
[M+HCOO]- 300.12413 174.0
[M+CH3COO]- 314.13978 169.2
[M+Na-2H]- 276.10060 162.9
[M]+ 255.12538 154.0
[M]- 255.12648 154.0
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.