CID 3023934

94199-57-2

Structural Information

Molecular Formula
C25H20N4O5
SMILES
CCOC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C25H20N4O5/c1-2-34-22-14-8-6-12-20(22)26-25(31)18-15-16-9-3-4-10-17(16)23(24(18)30)28-27-19-11-5-7-13-21(19)29(32)33/h3-15,30H,2H2,1H3,(H,26,31)
InChIKey
SVVCPEQGLYFCAX-UHFFFAOYSA-N
Compound name
N-(2-ethoxyphenyl)-3-hydroxy-4-[(2-nitrophenyl)diazenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.14337 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.150646 205.1
[M+Na]+ 479.132588 208.3
[M-H]- 455.136094 216.3
[M+NH4]+ 474.177193 212.2
[M+K]+ 495.106528 200.6
[M+H-H2O]+ 439.140630 197.1
[M+HCOO]- 501.141571 231.0
[M+CH3COO]- 515.157221 237.5
[M+Na-2H]- 477.118036 212.2
[M]+ 456.14282142 205.8
[M]- 456.14391858 205.8
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.