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 177.4
[M+Na]+ 349.15228 183.6
[M-H]- 325.15578 183.2
[M+NH4]+ 344.19688 190.7
[M+K]+ 365.12622 179.9
[M+H-H2O]+ 309.16032 167.9
[M+HCOO]- 371.16126 196.3
[M+CH3COO]- 385.17691 213.3
[M+Na-2H]- 347.13773 180.5
[M]+ 326.16251 178.2
[M]- 326.16361 178.2
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