CID 80926

6448-96-0

Structural Information

Molecular Formula
C31H23N5O6
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)NC5=CC(=CC=C5)[N+](=O)[O-])O
InChI
InChI=1S/C31H23N5O6/c1-42-27-15-14-20(30(38)32-21-9-3-2-4-10-21)17-26(27)34-35-28-24-13-6-5-8-19(24)16-25(29(28)37)31(39)33-22-11-7-12-23(18-22)36(40)41/h2-18,37H,1H3,(H,32,38)(H,33,39)
InChIKey
GLZGTQYOWXFUNZ-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]-N-(3-nitrophenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

561.16486 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.17214 233.3
[M+Na]+ 584.15408 247.2
[M+NH4]+ 579.19868 237.9
[M+K]+ 600.12802 241.5
[M-H]- 560.15758 244.5
[M+Na-2H]- 582.13953 243.5
[M]+ 561.16431 238.1
[M]- 561.16541 238.1
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

patents stripe