CID 80721

Einecs 228-854-1

Structural Information

Molecular Formula
C13H14N4
SMILES
CC1=CC=CC=C1N=NC2=C(C=C(C=C2)N)N
InChI
InChI=1S/C13H14N4/c1-9-4-2-3-5-12(9)16-17-13-7-6-10(14)8-11(13)15/h2-8H,14-15H2,1H3
InChIKey
BFAGCVQXFXZIDM-UHFFFAOYSA-N
Compound name
4-[(2-methylphenyl)diazenyl]benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6
Patents

226.12184 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.129116 149.8
[M+Na]+ 249.111058 157.6
[M-H]- 225.114564 159.0
[M+NH4]+ 244.155663 167.9
[M+K]+ 265.084998 154.3
[M+H-H2O]+ 209.119100 141.3
[M+HCOO]- 271.120041 180.5
[M+CH3COO]- 285.135691 204.8
[M+Na-2H]- 247.096506 156.5
[M]+ 226.12129142 147.9
[M]- 226.12238858 147.9
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