CID 78385221

Annocherine b

Structural Information

Molecular Formula
C18H17NO4
SMILES
COC1=C(C=C2C(=C1)C=CN=C2C(C3=CC=C(C=C3)O)OC)O
InChI
InChI=1S/C18H17NO4/c1-22-16-9-12-7-8-19-17(14(12)10-15(16)21)18(23-2)11-3-5-13(20)6-4-11/h3-10,18,20-21H,1-2H3
InChIKey
UGPTYMLHEHFVJS-UHFFFAOYSA-N
Compound name
1-[(4-hydroxyphenyl)-methoxymethyl]-6-methoxyisoquinolin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.11575 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 172.1
[M+Na]+ 334.10497 187.2
[M+NH4]+ 329.14957 179.4
[M+K]+ 350.07891 180.4
[M-H]- 310.10847 175.5
[M+Na-2H]- 332.09042 179.5
[M]+ 311.11520 175.3
[M]- 311.11630 175.3
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.