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 178.7
[M+Na]+ 347.17300 183.6
[M-H]- 323.17650 183.9
[M+NH4]+ 342.21760 191.9
[M+K]+ 363.14694 179.0
[M+H-H2O]+ 307.18104 169.0
[M+HCOO]- 369.18198 197.1
[M+CH3COO]- 383.19763 212.8
[M+Na-2H]- 345.15845 181.8
[M]+ 324.18323 178.0
[M]- 324.18433 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