CID 4149948

50768-75-7

Structural Information

Molecular Formula
C11H10BrN5
SMILES
C1=CC(=C(C=C1N)N)N=NC2=NC=C(C=C2)Br
InChI
InChI=1S/C11H10BrN5/c12-7-1-4-11(15-6-7)17-16-10-3-2-8(13)5-9(10)14/h1-6H,13-14H2
InChIKey
XHJGETUGTPYUKU-UHFFFAOYSA-N
Compound name
4-[(5-bromo-2-pyridinyl)diazenyl]benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

291.01196 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.01924 152.7
[M+Na]+ 314.00118 163.5
[M-H]- 290.00468 162.5
[M+NH4]+ 309.04578 170.2
[M+K]+ 329.97512 151.2
[M+H-H2O]+ 274.00922 148.5
[M+HCOO]- 336.01016 179.5
[M+CH3COO]- 350.02581 210.0
[M+Na-2H]- 311.98663 161.4
[M]+ 291.01141 169.0
[M]- 291.01251 169.0
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

No patent data available for this compound.