CID 366231

Nsc634567

Structural Information

Molecular Formula
C27H24N2O4
SMILES
COC1=C(C2=C(C3=CC=CC=C3C(=C2C=C1)C4=NC=CC5=CC(=C(C=C54)OC)OC)N)OC
InChI
InChI=1S/C27H24N2O4/c1-30-20-10-9-18-23(16-7-5-6-8-17(16)25(28)24(18)27(20)33-4)26-19-14-22(32-3)21(31-2)13-15(19)11-12-29-26/h5-14H,28H2,1-4H3
InChIKey
CYOHXLOJNUNXSP-UHFFFAOYSA-N
Compound name
10-(6,7-dimethoxyisoquinolin-1-yl)-1,2-dimethoxyanthracen-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1736 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.18088 211.2
[M+Na]+ 463.16282 221.7
[M-H]- 439.16632 219.6
[M+NH4]+ 458.20742 221.7
[M+K]+ 479.13676 216.2
[M+H-H2O]+ 423.17086 198.9
[M+HCOO]- 485.17180 230.1
[M+CH3COO]- 499.18745 220.5
[M+Na-2H]- 461.14827 215.7
[M]+ 440.17305 218.9
[M]- 440.17415 218.9
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.