CID 109049

Einecs 262-576-1

Structural Information

Molecular Formula
C26H23N3O3
SMILES
CCC1=CC=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)OC)O
InChI
InChI=1S/C26H23N3O3/c1-3-17-8-10-20(11-9-17)28-29-24-22-7-5-4-6-18(22)16-23(25(24)30)26(31)27-19-12-14-21(32-2)15-13-19/h4-16,30H,3H2,1-2H3,(H,27,31)
InChIKey
GDCAUDDVEGSUMC-UHFFFAOYSA-N
Compound name
4-[(4-ethylphenyl)diazenyl]-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

425.17395 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.18123 203.3
[M+Na]+ 448.16317 209.2
[M-H]- 424.16667 215.0
[M+NH4]+ 443.20777 213.4
[M+K]+ 464.13711 204.4
[M+H-H2O]+ 408.17121 191.5
[M+HCOO]- 470.17215 228.5
[M+CH3COO]- 484.18780 239.3
[M+Na-2H]- 446.14862 207.7
[M]+ 425.17340 206.0
[M]- 425.17450 206.0
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.