CID 5748681

Einecs 264-656-1

Structural Information

Molecular Formula
C14H13N5O4
SMILES
COC1=CC(=C(C=C1N=N)OC)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H13N5O4/c1-22-13-8-12(14(23-2)7-11(13)16-15)18-17-9-3-5-10(6-4-9)19(20)21/h3-8,15H,1-2H3
InChIKey
LOYYIICDZPADMX-UHFFFAOYSA-N
Compound name
(4-diazenyl-2,5-dimethoxyphenyl)-(4-nitrophenyl)diazene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

315.09674 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.10402 169.5
[M+Na]+ 338.08596 181.9
[M+NH4]+ 333.13056 176.1
[M+K]+ 354.05990 178.0
[M-H]- 314.08946 177.1
[M+Na-2H]- 336.07141 178.2
[M]+ 315.09619 173.1
[M]- 315.09729 173.1
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

patents stripe