CID 371190

Chembl215382

Structural Information

Molecular Formula
C22H29NO5
SMILES
CN1CCC2=CC(=C(C(=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)OC
InChI
InChI=1S/C22H29NO5/c1-23-10-9-15-13-19(26-4)21(27-5)22(28-6)20(15)16(23)11-14-7-8-17(24-2)18(12-14)25-3/h7-8,12-13,16H,9-11H2,1-6H3
InChIKey
LLALSPNIDWQWQM-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethoxyphenyl)methyl]-6,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

387.20456 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.21184 194.6
[M+Na]+ 410.19378 202.5
[M-H]- 386.19728 200.9
[M+NH4]+ 405.23838 206.5
[M+K]+ 426.16772 200.0
[M+H-H2O]+ 370.20182 184.7
[M+HCOO]- 432.20276 212.3
[M+CH3COO]- 446.21841 225.7
[M+Na-2H]- 408.17923 194.7
[M]+ 387.20401 202.5
[M]- 387.20511 202.5
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

No patent data available for this compound.