CID 91836

56396-10-2

Structural Information

Molecular Formula
C25H20N4O4
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)N)O
InChI
InChI=1S/C25H20N4O4/c1-33-21-12-11-16(25(32)27-17-8-3-2-4-9-17)14-20(21)28-29-22-18-10-6-5-7-15(18)13-19(23(22)30)24(26)31/h2-14,30H,1H3,(H2,26,31)(H,27,32)
InChIKey
LFFICOHZNUVGRZ-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

61
Patents

440.14847 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.15575 206.5
[M+Na]+ 463.13769 219.3
[M+NH4]+ 458.18229 212.3
[M+K]+ 479.11163 211.9
[M-H]- 439.14119 214.7
[M+Na-2H]- 461.12314 215.5
[M]+ 440.14792 210.4
[M]- 440.14902 210.4
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