CID 9656531

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

Structural Information

Molecular Formula
C16H13Br2N3O
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)C2=C(C(=CC(=C2)Br)Br)N
InChI
InChI=1S/C16H13Br2N3O/c17-12-9-13(15(19)14(18)10-12)16(22)21-20-8-4-7-11-5-2-1-3-6-11/h1-10H,19H2,(H,21,22)/b7-4+,20-8+
InChIKey
HOKWHBAWKJUHHR-RHYRJLECSA-N
Compound name
2-amino-3,5-dibromo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.94254 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.94982 171.9
[M+Na]+ 443.93176 179.6
[M-H]- 419.93526 180.6
[M+NH4]+ 438.97636 185.9
[M+K]+ 459.90570 161.9
[M+H-H2O]+ 403.93980 175.7
[M+HCOO]- 465.94074 189.6
[M+CH3COO]- 479.95639 226.6
[M+Na-2H]- 441.91721 175.9
[M]+ 420.94199 203.5
[M]- 420.94309 203.5
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.