CID 384091

Nsc673313

Structural Information

Molecular Formula
C24H20N4O5
SMILES
CC1=C(C(=O)NC(=C1N=NC2=CC=C(C=C2)OC)C3=C(C=C4C(=C3OC)C=CO4)OC)C#N
InChI
InChI=1S/C24H20N4O5/c1-13-17(12-25)24(29)26-22(21(13)28-27-14-5-7-15(30-2)8-6-14)20-19(31-3)11-18-16(9-10-33-18)23(20)32-4/h5-11H,1-4H3,(H,26,29)
InChIKey
WTYFXSZSYDBQKZ-UHFFFAOYSA-N
Compound name
6-(4,6-dimethoxy-1-benzofuran-5-yl)-5-[(4-methoxyphenyl)diazenyl]-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.14337 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.15065 211.5
[M+Na]+ 467.13259 224.2
[M-H]- 443.13609 221.0
[M+NH4]+ 462.17719 219.5
[M+K]+ 483.10653 218.4
[M+H-H2O]+ 427.14063 194.0
[M+HCOO]- 489.14157 232.8
[M+CH3COO]- 503.15722 246.0
[M+Na-2H]- 465.11804 212.6
[M]+ 444.14282 215.1
[M]- 444.14392 215.1
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.