CID 9607048

2-amino-3,5-dibromo-n'-(4-methylbenzylidene)benzohydrazide

Structural Information

Molecular Formula
C15H13Br2N3O
SMILES
CC1=CC=C(C=C1)/C=N/NC(=O)C2=C(C(=CC(=C2)Br)Br)N
InChI
InChI=1S/C15H13Br2N3O/c1-9-2-4-10(5-3-9)8-19-20-15(21)12-6-11(16)7-13(17)14(12)18/h2-8H,18H2,1H3,(H,20,21)/b19-8+
InChIKey
MOLLBXPQTFWTHU-UFWORHAWSA-N
Compound name
2-amino-3,5-dibromo-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.94254 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.94982 169.2
[M+Na]+ 431.93176 177.6
[M-H]- 407.93526 178.3
[M+NH4]+ 426.97636 183.8
[M+K]+ 447.90570 160.5
[M+H-H2O]+ 391.93980 173.0
[M+HCOO]- 453.94074 187.0
[M+CH3COO]- 467.95639 226.4
[M+Na-2H]- 429.91721 173.0
[M]+ 408.94199 201.4
[M]- 408.94309 201.4
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.