CID 38371

Brn 0464561

Structural Information

Molecular Formula
C28H30N2O4
SMILES
COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)NCCC4=CC=CC=C4)OC
InChI
InChI=1S/C28H30N2O4/c1-31-23-11-10-21(17-24(23)32-2)27(29-14-12-19-8-6-5-7-9-19)28-22-18-26(34-4)25(33-3)16-20(22)13-15-30-28/h5-11,13,15-18,27,29H,12,14H2,1-4H3
InChIKey
AKRAYSGCOJUJFQ-UHFFFAOYSA-N
Compound name
N-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.22055 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.22783 216.2
[M+Na]+ 481.20977 232.2
[M+NH4]+ 476.25437 223.1
[M+K]+ 497.18371 222.5
[M-H]- 457.21327 223.5
[M+Na-2H]- 479.19522 225.5
[M]+ 458.22000 220.8
[M]- 458.22110 220.8
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.