CID 174895

Einecs 276-330-6

Structural Information

Molecular Formula
C26H22N4O5
SMILES
CCC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=C(C=C4)OC)[N+](=O)[O-]
InChI
InChI=1S/C26H22N4O5/c1-3-16-8-5-7-11-21(16)27-26(32)20-14-17-9-4-6-10-19(17)24(25(20)31)29-28-22-13-12-18(35-2)15-23(22)30(33)34/h4-15,31H,3H2,1-2H3,(H,27,32)
InChIKey
WCYYHGULXDORSH-UHFFFAOYSA-N
Compound name
N-(2-ethylphenyl)-3-hydroxy-4-[(4-methoxy-2-nitrophenyl)diazenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.15903 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.16631 210.9
[M+Na]+ 493.14825 214.5
[M-H]- 469.15175 222.3
[M+NH4]+ 488.19285 217.7
[M+K]+ 509.12219 206.7
[M+H-H2O]+ 453.15629 202.8
[M+HCOO]- 515.15723 236.3
[M+CH3COO]- 529.17288 241.7
[M+Na-2H]- 491.13370 216.7
[M]+ 470.15848 212.3
[M]- 470.15958 212.3
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.