CID 22297560

(s)-annocherine a

Structural Information

Molecular Formula
C17H15NO4
SMILES
COC1=C(C=C2C(=C1)C=CN=C2C(C3=CC=C(C=C3)O)O)O
InChI
InChI=1S/C17H15NO4/c1-22-15-8-11-6-7-18-16(13(11)9-14(15)20)17(21)10-2-4-12(19)5-3-10/h2-9,17,19-21H,1H3
InChIKey
XWZBLZPLPZOXQV-UHFFFAOYSA-N
Compound name
1-[hydroxy-(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

297.1001 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10738 167.0
[M+Na]+ 320.08932 175.2
[M-H]- 296.09282 170.0
[M+NH4]+ 315.13392 179.9
[M+K]+ 336.06326 170.4
[M+H-H2O]+ 280.09736 158.9
[M+HCOO]- 342.09830 183.9
[M+CH3COO]- 356.11395 198.2
[M+Na-2H]- 318.07477 171.4
[M]+ 297.09955 167.5
[M]- 297.10065 167.5
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