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]+ 402.17000 199.4
[M+Na]+ 424.15194 207.3
[M-H]- 400.15544 208.6
[M+NH4]+ 419.19654 209.4
[M+K]+ 440.12588 202.5
[M+H-H2O]+ 384.15998 187.2
[M+HCOO]- 446.16092 219.7
[M+CH3COO]- 460.17657 209.1
[M+Na-2H]- 422.13739 203.0
[M]+ 401.16217 205.6
[M]- 401.16327 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.