CID 4436764

1-(2-(4-ho-3,5-dimethoxy-ph)-et)-6-meo-2-me-4h-isoquinolin-7-ol, hydrochloride

Structural Information

Molecular Formula
C21H27NO5
SMILES
CN1CCC2=CC(=C(C=C2C1CCC3=CC(=C(C(=C3)OC)O)OC)O)OC
InChI
InChI=1S/C21H27NO5/c1-22-8-7-14-11-18(25-2)17(23)12-15(14)16(22)6-5-13-9-19(26-3)21(24)20(10-13)27-4/h9-12,16,23-24H,5-8H2,1-4H3
InChIKey
DGOKQPNMLMLGKK-UHFFFAOYSA-N
Compound name
1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.18893 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.196206 190.7
[M+Na]+ 396.178148 198.1
[M-H]- 372.181654 194.4
[M+NH4]+ 391.222753 201.7
[M+K]+ 412.152088 194.2
[M+H-H2O]+ 356.186190 181.6
[M+HCOO]- 418.187131 205.7
[M+CH3COO]- 432.202781 218.3
[M+Na-2H]- 394.163596 190.5
[M]+ 373.18838142 194.7
[M]- 373.18947858 194.7
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.