CID 3070967

6,7-dihydroxy-1-methyl-3-(4-tolyl)-1,2,3,4-tetrahydroisoquinoline hydrobromide

Structural Information

Molecular Formula
C17H19NO2
SMILES
CC1C2=CC(=C(C=C2CC(N1)C3=CC=C(C=C3)C)O)O
InChI
InChI=1S/C17H19NO2/c1-10-3-5-12(6-4-10)15-7-13-8-16(19)17(20)9-14(13)11(2)18-15/h3-6,8-9,11,15,18-20H,7H2,1-2H3
InChIKey
QACOGUCZFGBIRW-UHFFFAOYSA-N
Compound name
1-methyl-3-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.14157 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 163.7
[M+Na]+ 292.13079 171.6
[M-H]- 268.13429 166.3
[M+NH4]+ 287.17539 178.3
[M+K]+ 308.10473 165.3
[M+H-H2O]+ 252.13883 156.3
[M+HCOO]- 314.13977 178.5
[M+CH3COO]- 328.15542 173.9
[M+Na-2H]- 290.11624 166.4
[M]+ 269.14102 159.6
[M]- 269.14212 159.6
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.