CID 77803

Einecs 223-987-1

Structural Information

Molecular Formula
C24H18N4O5
SMILES
COC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4)O)[N+](=O)[O-]
InChI
InChI=1S/C24H18N4O5/c1-33-17-11-12-20(21(14-17)28(31)32)26-27-22-18-10-6-5-7-15(18)13-19(23(22)29)24(30)25-16-8-3-2-4-9-16/h2-14,29H,1H3,(H,25,30)
InChIKey
JNRQCXTYTFQXIQ-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[(4-methoxy-2-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.12772 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.13500 200.6
[M+Na]+ 465.11694 204.3
[M-H]- 441.12044 212.0
[M+NH4]+ 460.16154 208.3
[M+K]+ 481.09088 196.7
[M+H-H2O]+ 425.12498 192.8
[M+HCOO]- 487.12592 226.8
[M+CH3COO]- 501.14157 234.6
[M+Na-2H]- 463.10239 208.1
[M]+ 442.12717 201.0
[M]- 442.12827 201.0
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.