CID 3038738

Brn 0456090

Structural Information

Molecular Formula
C25H26N2O3
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2CCN(C3)CC4=CC=CC=C4)OC
InChI
InChI=1S/C25H26N2O3/c1-29-23-12-11-19(15-24(23)30-2)25(28)26-22-10-6-9-20-17-27(14-13-21(20)22)16-18-7-4-3-5-8-18/h3-12,15H,13-14,16-17H2,1-2H3,(H,26,28)
InChIKey
RDZNFFLOJKAAPB-UHFFFAOYSA-N
Compound name
N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.19434 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.20162 198.7
[M+Na]+ 425.18356 203.1
[M-H]- 401.18706 206.8
[M+NH4]+ 420.22816 207.9
[M+K]+ 441.15750 197.8
[M+H-H2O]+ 385.19160 186.8
[M+HCOO]- 447.19254 216.5
[M+CH3COO]- 461.20819 206.8
[M+Na-2H]- 423.16901 200.9
[M]+ 402.19379 198.5
[M]- 402.19489 198.5
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

No patent data available for this compound.