CID 9661552

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

Structural Information

Molecular Formula
C18H19Br2N3O2
SMILES
CCCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=C(C(=CC(=C2)Br)Br)N
InChI
InChI=1S/C18H19Br2N3O2/c1-2-3-8-25-14-6-4-12(5-7-14)11-22-23-18(24)15-9-13(19)10-16(20)17(15)21/h4-7,9-11H,2-3,8,21H2,1H3,(H,23,24)/b22-11+
InChIKey
CCVNQJYYRKYMOH-SSDVNMTOSA-N
Compound name
2-amino-3,5-dibromo-N-[(E)-(4-butoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.9844 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.99168 182.6
[M+Na]+ 489.97362 189.7
[M-H]- 465.97712 191.1
[M+NH4]+ 485.01822 195.2
[M+K]+ 505.94756 172.6
[M+H-H2O]+ 449.98166 185.6
[M+HCOO]- 511.98260 199.6
[M+CH3COO]- 525.99825 234.8
[M+Na-2H]- 487.95907 185.1
[M]+ 466.98385 216.5
[M]- 466.98495 216.5
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.