CID 87315

Einecs 241-778-3

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 212.7
[M+Na]+ 524.11767 213.2
[M-H]- 500.12117 223.1
[M+NH4]+ 519.16227 216.2
[M+K]+ 540.09161 202.6
[M+H-H2O]+ 484.12571 208.2
[M+HCOO]- 546.12665 237.6
[M+CH3COO]- 560.14230 239.3
[M+Na-2H]- 522.10312 221.1
[M]+ 501.12790 211.5
[M]- 501.12900 211.5
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.