CID 14526072

(r)-juziphine

Structural Information

Molecular Formula
C18H21NO3
SMILES
CN1CCC2=C(C1CC3=CC=C(C=C3)O)C(=C(C=C2)OC)O
InChI
InChI=1S/C18H21NO3/c1-19-10-9-13-5-8-16(22-2)18(21)17(13)15(19)11-12-3-6-14(20)7-4-12/h3-8,15,20-21H,9-11H2,1-2H3
InChIKey
QRKWLDOOAQAGAE-UHFFFAOYSA-N
Compound name
1-[(4-hydroxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

299.15213 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 171.0
[M+Na]+ 322.14135 178.7
[M-H]- 298.14485 174.7
[M+NH4]+ 317.18595 184.9
[M+K]+ 338.11529 173.6
[M+H-H2O]+ 282.14939 162.8
[M+HCOO]- 344.15033 187.0
[M+CH3COO]- 358.16598 202.2
[M+Na-2H]- 320.12680 173.7
[M]+ 299.15158 170.4
[M]- 299.15268 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe