CID 119714

27766-47-8

Structural Information

Molecular Formula
C14H12N5O4
SMILES
COC1=CC(=C(C=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])OC)[N+]#N
InChI
InChI=1S/C14H12N5O4/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/h3-8H,1-2H3/q+1
InChIKey
AXQTUUPVMIBBKV-UHFFFAOYSA-N
Compound name
2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]benzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

117
Patents

314.08893 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09621 174.5
[M+Na]+ 337.07815 188.5
[M+NH4]+ 332.12275 178.9
[M+K]+ 353.05209 181.4
[M-H]- 313.08165 175.4
[M+Na-2H]- 335.06360 180.5
[M]+ 314.08838 176.1
[M]- 314.08948 176.1
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