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 178.2
[M+Na]+ 345.15734 186.2
[M-H]- 321.16084 185.9
[M+NH4]+ 340.20194 192.6
[M+K]+ 361.13128 182.6
[M+H-H2O]+ 305.16538 168.1
[M+HCOO]- 367.16632 200.7
[M+CH3COO]- 381.18197 217.2
[M+Na-2H]- 343.14279 182.9
[M]+ 322.16757 183.3
[M]- 322.16867 183.3
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.