CID 135765516

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

Structural Information

Molecular Formula
C14H11Br2N3O2
SMILES
C1=CC(=CC=C1/C=N/NC(=O)C2=C(C(=CC(=C2)Br)Br)N)O
InChI
InChI=1S/C14H11Br2N3O2/c15-9-5-11(13(17)12(16)6-9)14(21)19-18-7-8-1-3-10(20)4-2-8/h1-7,20H,17H2,(H,19,21)/b18-7+
InChIKey
RQRCFLNRYZZIQJ-CNHKJKLMSA-N
Compound name
2-amino-3,5-dibromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.9218 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.92908 167.5
[M+Na]+ 433.91102 175.6
[M-H]- 409.91452 175.5
[M+NH4]+ 428.95562 181.3
[M+K]+ 449.88496 158.4
[M+H-H2O]+ 393.91906 171.2
[M+HCOO]- 455.92000 184.5
[M+CH3COO]- 469.93565 224.1
[M+Na-2H]- 431.89647 171.4
[M]+ 410.92125 199.0
[M]- 410.92235 199.0
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.