CID 55215

84218-46-2

Structural Information

Molecular Formula
C26H28N4O2
SMILES
COC1=C(C=C2C(N(CCC2=C1)CNC3=CC=CC=N3)CC4=CNC5=CC=CC=C54)OC
InChI
InChI=1S/C26H28N4O2/c1-31-24-14-18-10-12-30(17-29-26-9-5-6-11-27-26)23(21(18)15-25(24)32-2)13-19-16-28-22-8-4-3-7-20(19)22/h3-9,11,14-16,23,28H,10,12-13,17H2,1-2H3,(H,27,29)
InChIKey
NHNYUZCMDKOVGM-UHFFFAOYSA-N
Compound name
N-[[1-(1H-indol-3-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.22122 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.22850 208.0
[M+Na]+ 451.21044 223.8
[M+NH4]+ 446.25504 215.4
[M+K]+ 467.18438 215.7
[M-H]- 427.21394 214.4
[M+Na-2H]- 449.19589 215.9
[M]+ 428.22067 212.2
[M]- 428.22177 212.2
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.