CID 216590

Brn 0497246

Structural Information

Molecular Formula
C20H24N2O4
SMILES
CN1CCC2=C(C1)C(=CC=C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C20H24N2O4/c1-22-9-8-13-6-5-7-16(15(13)12-22)21-20(23)14-10-17(24-2)19(26-4)18(11-14)25-3/h5-7,10-11H,8-9,12H2,1-4H3,(H,21,23)
InChIKey
CXWARSOKLLCROL-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

356.1736 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18088 185.2
[M+Na]+ 379.16282 198.2
[M+NH4]+ 374.20742 192.0
[M+K]+ 395.13676 191.4
[M-H]- 355.16632 189.2
[M+Na-2H]- 377.14827 190.9
[M]+ 356.17305 188.1
[M]- 356.17415 188.1
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

patents stripe