CID 3038899

Brn 0460430

Structural Information

Molecular Formula
C26H28N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC3=C2CCN(C3)CC4=CC=CC=C4
InChI
InChI=1S/C26H28N2O4/c1-30-23-14-20(15-24(31-2)25(23)32-3)26(29)27-22-11-7-10-19-17-28(13-12-21(19)22)16-18-8-5-4-6-9-18/h4-11,14-15H,12-13,16-17H2,1-3H3,(H,27,29)
InChIKey
JDAICEZAPJXZOG-UHFFFAOYSA-N
Compound name
N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2049 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.21218 207.4
[M+Na]+ 455.19412 222.0
[M+NH4]+ 450.23872 214.3
[M+K]+ 471.16806 213.2
[M-H]- 431.19762 214.1
[M+Na-2H]- 453.17957 215.5
[M]+ 432.20435 211.4
[M]- 432.20545 211.4
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.