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

16
Patents

356.1736 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.180876 185.0
[M+Na]+ 379.162818 191.4
[M-H]- 355.166324 190.9
[M+NH4]+ 374.207423 197.2
[M+K]+ 395.136758 188.3
[M+H-H2O]+ 339.170860 175.3
[M+HCOO]- 401.171801 203.6
[M+CH3COO]- 415.187451 219.8
[M+Na-2H]- 377.148266 186.9
[M]+ 356.17305142 188.0
[M]- 356.17414858 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