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
2
Annotation Hits

0
References

352
Patents

302.1015 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.108776 165.0
[M+Na]+ 325.090718 171.6
[M-H]- 301.094224 174.5
[M+NH4]+ 320.135323 179.3
[M+K]+ 341.064658 166.1
[M+H-H2O]+ 285.098760 160.1
[M+HCOO]- 347.099701 196.0
[M+CH3COO]- 361.115351 210.0
[M+Na-2H]- 323.076166 172.6
[M]+ 302.10095142 166.7
[M]- 302.10204858 166.7
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