CID 363319

Nsc628139

Structural Information

Molecular Formula
C25H23NO4
SMILES
COC1=CC=CC(=C1)C2=NC=CC3=C(C(=C(C=C32)OC)OC)OCC4=CC=CC=C4
InChI
InChI=1S/C25H23NO4/c1-27-19-11-7-10-18(14-19)23-21-15-22(28-2)25(29-3)24(20(21)12-13-26-23)30-16-17-8-5-4-6-9-17/h4-15H,16H2,1-3H3
InChIKey
QJXHEJLNIVHTGG-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-(3-methoxyphenyl)-5-phenylmethoxyisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.16272 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.169996 199.4
[M+Na]+ 424.151938 207.3
[M-H]- 400.155444 208.6
[M+NH4]+ 419.196543 209.4
[M+K]+ 440.125878 202.5
[M+H-H2O]+ 384.159980 187.2
[M+HCOO]- 446.160921 219.7
[M+CH3COO]- 460.176571 209.1
[M+Na-2H]- 422.137386 203.0
[M]+ 401.16217142 205.6
[M]- 401.16326858 205.6
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.