CID 3019796

84255-13-0

Structural Information

Molecular Formula
C13H12N4O2
SMILES
CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])N
InChI
InChI=1S/C13H12N4O2/c1-9-8-11(4-7-13(9)14)16-15-10-2-5-12(6-3-10)17(18)19/h2-8H,14H2,1H3
InChIKey
YIRVXTSCTZTERY-UHFFFAOYSA-N
Compound name
2-methyl-4-[(4-nitrophenyl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

256.09604 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.103316 154.1
[M+Na]+ 279.085258 160.7
[M-H]- 255.088764 163.4
[M+NH4]+ 274.129863 170.2
[M+K]+ 295.059198 154.2
[M+H-H2O]+ 239.093300 149.8
[M+HCOO]- 301.094241 185.2
[M+CH3COO]- 315.109891 201.4
[M+Na-2H]- 277.070706 162.6
[M]+ 256.09549142 152.5
[M]- 256.09658858 152.5
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