CID 136510156

Schembl15586780

Structural Information

Molecular Formula
C24H18N4O4
SMILES
CCCN1C(=C(C(=C(C1=O)N=NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C)C#N)O
InChI
InChI=1S/C24H18N4O4/c1-3-11-28-23(31)17(12-25)13(2)20(24(28)32)27-26-18-10-6-9-16-19(18)22(30)15-8-5-4-7-14(15)21(16)29/h4-10,31H,3,11H2,1-2H3
InChIKey
LRSCPHUGPGMSEY-UHFFFAOYSA-N
Compound name
5-[(9,10-dioxoanthracen-1-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

426.1328 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.14008 208.4
[M+Na]+ 449.12202 220.8
[M-H]- 425.12552 215.0
[M+NH4]+ 444.16662 217.7
[M+K]+ 465.09596 212.4
[M+H-H2O]+ 409.13006 191.5
[M+HCOO]- 471.13100 226.0
[M+CH3COO]- 485.14665 246.4
[M+Na-2H]- 447.10747 209.8
[M]+ 426.13225 207.4
[M]- 426.13335 207.4
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.