CID 109047

61050-21-3

Structural Information

Molecular Formula
C26H23N3O5
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=CC=C4OC
InChI
InChI=1S/C26H23N3O5/c1-32-17-12-13-23(34-3)21(15-17)27-26(31)19-14-16-8-4-5-9-18(16)24(25(19)30)29-28-20-10-6-7-11-22(20)33-2/h4-15,30H,1-3H3,(H,27,31)
InChIKey
RIWRVRAAVXEMOD-UHFFFAOYSA-N
Compound name
N-(2,5-dimethoxyphenyl)-3-hydroxy-4-[(2-methoxyphenyl)diazenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.16376 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.17104 209.3
[M+Na]+ 480.15298 215.4
[M-H]- 456.15648 221.3
[M+NH4]+ 475.19758 218.0
[M+K]+ 496.12692 212.5
[M+H-H2O]+ 440.16102 197.1
[M+HCOO]- 502.16196 234.7
[M+CH3COO]- 516.17761 245.1
[M+Na-2H]- 478.13843 213.3
[M]+ 457.16321 215.1
[M]- 457.16431 215.1
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

No patent data available for this compound.