CID 80925

6448-95-9

Structural Information

Molecular Formula
C24H18N4O4
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4)O
InChI
InChI=1S/C24H18N4O4/c1-15-11-12-18(28(31)32)14-21(15)26-27-22-19-10-6-5-7-16(19)13-20(23(22)29)24(30)25-17-8-3-2-4-9-17/h2-14,29H,1H3,(H,25,30)
InChIKey
XYZMEPHFXJHGIX-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[(2-methyl-5-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

62
Patents

426.1328 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.14008 200.6
[M+Na]+ 449.12202 215.8
[M+NH4]+ 444.16662 207.6
[M+K]+ 465.09596 209.7
[M-H]- 425.12552 210.5
[M+Na-2H]- 447.10747 210.8
[M]+ 426.13225 205.5
[M]- 426.13335 205.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe