CID 43991

62308-10-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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

No literature data available for this compound.

Patent stripe

patents stripe