CID 87315

17809-07-3

Structural Information

Molecular Formula
C25H19N5O7
SMILES
CCOC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C25H19N5O7/c1-2-37-22-10-6-5-9-20(22)26-25(32)18-13-15-7-3-4-8-17(15)23(24(18)31)28-27-19-12-11-16(29(33)34)14-21(19)30(35)36/h3-14,31H,2H2,1H3,(H,26,32)
InChIKey
DDGULPZDBLQQIL-UHFFFAOYSA-N
Compound name
4-[(2,4-dinitrophenyl)diazenyl]-N-(2-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.12845 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.13573 217.7
[M+Na]+ 524.11767 231.2
[M+NH4]+ 519.16227 222.3
[M+K]+ 540.09161 229.0
[M-H]- 500.12117 227.2
[M+Na-2H]- 522.10312 225.2
[M]+ 501.12790 221.9
[M]- 501.12900 221.9
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.