CID 135615811

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

Structural Information

Molecular Formula
C14H10Br3N3O2
SMILES
C1=CC(=C(C=C1Br)/C=N/NC(=O)C2=C(C(=CC(=C2)Br)Br)N)O
InChI
InChI=1S/C14H10Br3N3O2/c15-8-1-2-12(21)7(3-8)6-19-20-14(22)10-4-9(16)5-11(17)13(10)18/h1-6,21H,18H2,(H,20,22)/b19-6+
InChIKey
GVQRIJKMTZRLPQ-KPSZGOFPSA-N
Compound name
2-amino-3,5-dibromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.8323 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.83958 167.9
[M+Na]+ 511.82152 173.1
[M-H]- 487.82502 173.8
[M+NH4]+ 506.86612 178.2
[M+K]+ 527.79546 156.4
[M+H-H2O]+ 471.82956 178.3
[M+HCOO]- 533.83050 178.0
[M+CH3COO]- 547.84615 236.6
[M+Na-2H]- 509.80697 169.5
[M]+ 488.83175 206.5
[M]- 488.83285 206.5
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.