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 166.6
[M+Na]+ 338.08596 172.8
[M-H]- 314.08946 177.7
[M+NH4]+ 333.13056 180.7
[M+K]+ 354.05990 168.0
[M+H-H2O]+ 298.09400 160.8
[M+HCOO]- 360.09494 200.6
[M+CH3COO]- 374.11059 217.4
[M+Na-2H]- 336.07141 176.1
[M]+ 315.09619 169.5
[M]- 315.09729 169.5
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

patents stripe