CID 43572

6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)isoquinoline methanesulfonate

Structural Information

Molecular Formula
C21H23NO5
SMILES
COC1=CC(=CC(=C1OC)OC)CC2=CN=CC3=CC(=C(C=C32)OC)OC
InChI
InChI=1S/C21H23NO5/c1-23-17-9-15-12-22-11-14(16(15)10-18(17)24-2)6-13-7-19(25-3)21(27-5)20(8-13)26-4/h7-12H,6H2,1-5H3
InChIKey
HVSMEJSSKRVVPK-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-4-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.15762 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16490 188.4
[M+Na]+ 392.14684 204.5
[M+NH4]+ 387.19144 195.4
[M+K]+ 408.12078 196.5
[M-H]- 368.15034 192.6
[M+Na-2H]- 390.13229 195.6
[M]+ 369.15707 192.1
[M]- 369.15817 192.1
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.