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-bromopyridin-2-yl)diazenyl]benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
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

literature stripe

Patent stripe

patents stripe