CID 162577

Einecs 256-458-9

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 169.8
[M+Na]+ 346.07982 176.5
[M-H]- 322.08332 179.0
[M+NH4]+ 341.12442 183.8
[M+K]+ 362.05376 169.4
[M+H-H2O]+ 306.08786 164.8
[M+HCOO]- 368.08880 197.5
[M+CH3COO]- 382.10445 209.9
[M+Na-2H]- 344.06527 179.3
[M]+ 323.09005 171.2
[M]- 323.09115 171.2
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.