CID 216596

37481-40-6

Structural Information

Molecular Formula
C20H24N2O4
SMILES
CN1CCC2=C(C1)C=CC=C2NC(=O)C3=CC(=C(C=C3OC)OC)OC
InChI
InChI=1S/C20H24N2O4/c1-22-9-8-14-13(12-22)6-5-7-16(14)21-20(23)15-10-18(25-3)19(26-4)11-17(15)24-2/h5-7,10-11H,8-9,12H2,1-4H3,(H,21,23)
InChIKey
PLZYEUWLUGOFIW-UHFFFAOYSA-N
Compound name
2,4,5-trimethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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 185.0
[M+Na]+ 379.16282 191.4
[M-H]- 355.16632 190.9
[M+NH4]+ 374.20742 197.2
[M+K]+ 395.13676 188.3
[M+H-H2O]+ 339.17086 175.3
[M+HCOO]- 401.17180 203.6
[M+CH3COO]- 415.18745 219.8
[M+Na-2H]- 377.14827 186.9
[M]+ 356.17305 188.0
[M]- 356.17415 188.0
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