CID 162577

49744-28-7

Structural Information

Molecular Formula
C17H13N3O4
SMILES
COC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O)[N+](=O)[O-]
InChI
InChI=1S/C17H13N3O4/c1-24-12-7-8-14(15(10-12)20(22)23)18-19-17-13-5-3-2-4-11(13)6-9-16(17)21/h2-10,21H,1H3
InChIKey
XKCBOKJVKUTYEH-UHFFFAOYSA-N
Compound name
1-[(4-methoxy-2-nitrophenyl)diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

323.0906 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.09788 171.3
[M+Na]+ 346.07982 186.5
[M+NH4]+ 341.12442 179.3
[M+K]+ 362.05376 181.2
[M-H]- 322.08332 178.8
[M+Na-2H]- 344.06527 180.4
[M]+ 323.09005 175.5
[M]- 323.09115 175.5
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.