CID 216601

Benzamide, 4-methoxy-n-(1,2,3,4-tetrahydro-2-propylisoquinolin-5-yl)-

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CCCN1CCC2=C(C1)C=CC=C2NC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H24N2O2/c1-3-12-22-13-11-18-16(14-22)5-4-6-19(18)21-20(23)15-7-9-17(24-2)10-8-15/h4-10H,3,11-14H2,1-2H3,(H,21,23)
InChIKey
HOGNMZSUBOLTHT-UHFFFAOYSA-N
Compound name
4-methoxy-N-(2-propyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

324.18378 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.191056 178.7
[M+Na]+ 347.172998 183.6
[M-H]- 323.176504 183.9
[M+NH4]+ 342.217603 191.9
[M+K]+ 363.146938 179.0
[M+H-H2O]+ 307.181040 169.0
[M+HCOO]- 369.181981 197.1
[M+CH3COO]- 383.197631 212.8
[M+Na-2H]- 345.158446 181.8
[M]+ 324.18323142 178.0
[M]- 324.18432858 178.0
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