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

11
Patents

256.09604 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10332 154.1
[M+Na]+ 279.08526 160.7
[M-H]- 255.08876 163.4
[M+NH4]+ 274.12986 170.2
[M+K]+ 295.05920 154.2
[M+H-H2O]+ 239.09330 149.8
[M+HCOO]- 301.09424 185.2
[M+CH3COO]- 315.10989 201.4
[M+Na-2H]- 277.07071 162.6
[M]+ 256.09549 152.5
[M]- 256.09659 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