CID 216601

Brn 0495815

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

1
Patents

324.18378 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 179.3
[M+Na]+ 347.17300 192.6
[M+NH4]+ 342.21760 187.3
[M+K]+ 363.14694 184.2
[M-H]- 323.17650 184.2
[M+Na-2H]- 345.15845 186.3
[M]+ 324.18323 182.5
[M]- 324.18433 182.5
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