CID 322370

18017-47-5

Structural Information

Molecular Formula
C21H23NO5
SMILES
COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3CO)OC)OC)OC
InChI
InChI=1S/C21H23NO5/c1-24-18-8-13-5-6-22-17(16(13)11-21(18)27-4)7-14-9-19(25-2)20(26-3)10-15(14)12-23/h5-6,8-11,23H,7,12H2,1-4H3
InChIKey
YQAGLEABWKZDJX-UHFFFAOYSA-N
Compound name
[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.15762 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16490 188.5
[M+Na]+ 392.14684 197.5
[M-H]- 368.15034 194.0
[M+NH4]+ 387.19144 200.2
[M+K]+ 408.12078 193.9
[M+H-H2O]+ 352.15488 178.7
[M+HCOO]- 414.15582 208.0
[M+CH3COO]- 428.17147 218.4
[M+Na-2H]- 390.13229 191.3
[M]+ 369.15707 196.6
[M]- 369.15817 196.6
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

No patent data available for this compound.