CID 80685

6358-51-6

Structural Information

Molecular Formula
C14H14N4O4
SMILES
COC1=CC(=C(C=C1N)OC)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H14N4O4/c1-21-13-8-12(14(22-2)7-11(13)15)17-16-9-3-5-10(6-4-9)18(19)20/h3-8H,15H2,1-2H3
InChIKey
KBJGBAOGDZOYIZ-UHFFFAOYSA-N
Compound name
2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
Patents

302.1015 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10878 166.7
[M+Na]+ 325.09072 179.6
[M+NH4]+ 320.13532 173.6
[M+K]+ 341.06466 175.9
[M-H]- 301.09422 173.7
[M+Na-2H]- 323.07617 174.8
[M]+ 302.10095 170.2
[M]- 302.10205 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe