CID 52975

74195-72-5

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CN(C)C1=CC=C(C=C1)CC2=CN=CC3=CC(=C(C=C32)OC)OC
InChI
InChI=1S/C20H22N2O2/c1-22(2)17-7-5-14(6-8-17)9-15-12-21-13-16-10-19(23-3)20(24-4)11-18(15)16/h5-8,10-13H,9H2,1-4H3
InChIKey
WKVHDCWGEDFKIO-UHFFFAOYSA-N
Compound name
4-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.16812 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 177.7
[M+Na]+ 345.15734 193.7
[M+NH4]+ 340.20194 186.4
[M+K]+ 361.13128 184.8
[M-H]- 321.16084 183.8
[M+Na-2H]- 343.14279 186.9
[M]+ 322.16757 181.9
[M]- 322.16867 181.9
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.