CID 3085285

Juzirine

Structural Information

Molecular Formula
C17H15NO3
SMILES
COC1=C(C=C2C(=C1)C=CN=C2CC3=CC=C(C=C3)O)O
InChI
InChI=1S/C17H15NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-7,9-10,19-20H,8H2,1H3
InChIKey
XUCRLUHFLBPVRO-UHFFFAOYSA-N
Compound name
1-[(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

281.1052 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 164.7
[M+Na]+ 304.09442 180.9
[M+NH4]+ 299.13902 172.9
[M+K]+ 320.06836 172.9
[M-H]- 280.09792 168.9
[M+Na-2H]- 302.07987 173.1
[M]+ 281.10465 168.3
[M]- 281.10575 168.3
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