CID 4037716

N-methyl-n-[(3-nitrophenyl)diazenyl]aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

256.09604 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10332 153.9
[M+Na]+ 279.08526 158.8
[M-H]- 255.08876 164.4
[M+NH4]+ 274.12986 170.3
[M+K]+ 295.05920 154.0
[M+H-H2O]+ 239.09330 149.0
[M+HCOO]- 301.09424 186.1
[M+CH3COO]- 315.10989 203.4
[M+Na-2H]- 277.07071 164.0
[M]+ 256.09549 153.7
[M]- 256.09659 153.7
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

No patent data available for this compound.