CID 216595

Brn 0495668

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CN1CCC2=C(C1)C=CC=C2NC(=O)C3=C(C=CC=C3OC)OC
InChI
InChI=1S/C19H22N2O3/c1-21-11-10-14-13(12-21)6-4-7-15(14)20-19(22)18-16(23-2)8-5-9-17(18)24-3/h4-9H,10-12H2,1-3H3,(H,20,22)
InChIKey
MCZURAQKVIKVME-UHFFFAOYSA-N
Compound name
2,6-dimethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.16306 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 177.8
[M+Na]+ 349.15228 191.1
[M+NH4]+ 344.19688 185.3
[M+K]+ 365.12622 183.7
[M-H]- 325.15578 182.2
[M+Na-2H]- 347.13773 184.3
[M]+ 326.16251 180.9
[M]- 326.16361 180.9
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