CID 136510157

867012-97-3

Structural Information

Molecular Formula
C25H20N4O4
SMILES
CCCCN1C(=C(C(=C(C1=O)N=NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C)C#N)O
InChI
InChI=1S/C25H20N4O4/c1-3-4-12-29-24(32)18(13-26)14(2)21(25(29)33)28-27-19-11-7-10-17-20(19)23(31)16-9-6-5-8-15(16)22(17)30/h5-11,32H,3-4,12H2,1-2H3
InChIKey
ZNYISHZYDPGVHU-UHFFFAOYSA-N
Compound name
1-butyl-5-[(9,10-dioxoanthracen-1-yl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

440.14847 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.15575 212.1
[M+Na]+ 463.13769 224.1
[M-H]- 439.14119 218.6
[M+NH4]+ 458.18229 220.9
[M+K]+ 479.11163 215.6
[M+H-H2O]+ 423.14573 195.1
[M+HCOO]- 485.14667 229.4
[M+CH3COO]- 499.16232 249.0
[M+Na-2H]- 461.12314 213.2
[M]+ 440.14792 211.4
[M]- 440.14902 211.4
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

patents stripe