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]+ 323.175396 178.2
[M+Na]+ 345.157338 186.2
[M-H]- 321.160844 185.9
[M+NH4]+ 340.201943 192.6
[M+K]+ 361.131278 182.6
[M+H-H2O]+ 305.165380 168.1
[M+HCOO]- 367.166321 200.7
[M+CH3COO]- 381.181971 217.2
[M+Na-2H]- 343.142786 182.9
[M]+ 322.16757142 183.3
[M]- 322.16866858 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.