CID 216587

Brn 0495665

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

326.16306 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.170336 177.4
[M+Na]+ 349.152278 183.6
[M-H]- 325.155784 183.2
[M+NH4]+ 344.196883 190.7
[M+K]+ 365.126218 179.9
[M+H-H2O]+ 309.160320 167.9
[M+HCOO]- 371.161261 196.3
[M+CH3COO]- 385.176911 213.3
[M+Na-2H]- 347.137726 180.5
[M]+ 326.16251142 178.2
[M]- 326.16360858 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