CID 3038895

Brn 0460609

Structural Information

Molecular Formula
C26H28N2O4
SMILES
COC1=CC=C(C=C1)CN2CCC3=C(C2)C=CC=C3NC(=O)C4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C26H28N2O4/c1-30-21-10-7-18(8-11-21)16-28-14-13-22-20(17-28)5-4-6-23(22)27-26(29)19-9-12-24(31-2)25(15-19)32-3/h4-12,15H,13-14,16-17H2,1-3H3,(H,27,29)
InChIKey
IZKCXJLBEGEZTQ-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-N-[2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]benzamide
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 206.5
[M+Na]+ 455.19412 211.1
[M-H]- 431.19762 214.8
[M+NH4]+ 450.23872 214.6
[M+K]+ 471.16806 206.5
[M+H-H2O]+ 415.20216 194.4
[M+HCOO]- 477.20310 224.0
[M+CH3COO]- 491.21875 233.5
[M+Na-2H]- 453.17957 207.6
[M]+ 432.20435 208.4
[M]- 432.20545 208.4
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.