CID 9657149

2-amino-3,5-dibromo-n'-(3-nitrobenzylidene)benzohydrazide

Structural Information

Molecular Formula
C14H10Br2N4O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)C2=C(C(=CC(=C2)Br)Br)N
InChI
InChI=1S/C14H10Br2N4O3/c15-9-5-11(13(17)12(16)6-9)14(21)19-18-7-8-2-1-3-10(4-8)20(22)23/h1-7H,17H2,(H,19,21)/b18-7+
InChIKey
QBZSFOCFDCZGMV-CNHKJKLMSA-N
Compound name
2-amino-3,5-dibromo-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.91196 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.91924 177.5
[M+Na]+ 462.90118 184.3
[M-H]- 438.90468 186.2
[M+NH4]+ 457.94578 189.9
[M+K]+ 478.87512 164.4
[M+H-H2O]+ 422.90922 183.2
[M+HCOO]- 484.91016 195.8
[M+CH3COO]- 498.92581 224.7
[M+Na-2H]- 460.88663 182.1
[M]+ 439.91141 209.1
[M]- 439.91251 209.1
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.