CID 135849782

72928-82-6

Structural Information

Molecular Formula
C17H13N3O4
SMILES
CC1=CC(=C(C(=C1)[N+](=O)[O-])O)N=NC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C17H13N3O4/c1-10-8-13(17(22)14(9-10)20(23)24)18-19-16-12-5-3-2-4-11(12)6-7-15(16)21/h2-9,21-22H,1H3
InChIKey
KNYNCMMBARCXIW-UHFFFAOYSA-N
Compound name
1-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.0906 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.09788 169.6
[M+Na]+ 346.07982 176.8
[M-H]- 322.08332 177.9
[M+NH4]+ 341.12442 183.2
[M+K]+ 362.05376 169.0
[M+H-H2O]+ 306.08786 165.2
[M+HCOO]- 368.08880 195.9
[M+CH3COO]- 382.10445 208.6
[M+Na-2H]- 344.06527 178.1
[M]+ 323.09005 169.7
[M]- 323.09115 169.7
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.