CID 135459112

N'-[(1e)-(3,5-dibromo-2,4-dihydroxyphenyl)methylene]nicotinohydrazide

Structural Information

Molecular Formula
C13H9Br2N3O3
SMILES
C1=CC(=CN=C1)C(=O)N/N=C/C2=CC(=C(C(=C2O)Br)O)Br
InChI
InChI=1S/C13H9Br2N3O3/c14-9-4-8(11(19)10(15)12(9)20)6-17-18-13(21)7-2-1-3-16-5-7/h1-6,19-20H,(H,18,21)/b17-6+
InChIKey
PYVJEAZDEZTGIS-UBKPWBPPSA-N
Compound name
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1
Patents

412.90106 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.90834 161.6
[M+Na]+ 435.89028 170.4
[M-H]- 411.89378 168.5
[M+NH4]+ 430.93488 174.5
[M+K]+ 451.86422 153.8
[M+H-H2O]+ 395.89832 166.4
[M+HCOO]- 457.89926 177.0
[M+CH3COO]- 471.91491 220.2
[M+Na-2H]- 433.87573 166.9
[M]+ 412.90051 194.7
[M]- 412.90161 194.7
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

patents stripe