CID 9654644

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

Structural Information

Molecular Formula
C16H15Br2N3O2
SMILES
CCOC1=CC=CC=C1/C=N/NC(=O)C2=C(C(=CC(=C2)Br)Br)N
InChI
InChI=1S/C16H15Br2N3O2/c1-2-23-14-6-4-3-5-10(14)9-20-21-16(22)12-7-11(17)8-13(18)15(12)19/h3-9H,2,19H2,1H3,(H,21,22)/b20-9+
InChIKey
ILORRDYDABMTNE-AWQFTUOYSA-N
Compound name
2-amino-3,5-dibromo-N-[(E)-(2-ethoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.9531 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.96038 174.7
[M+Na]+ 461.94232 182.5
[M-H]- 437.94582 183.6
[M+NH4]+ 456.98692 188.2
[M+K]+ 477.91626 165.8
[M+H-H2O]+ 421.95036 178.1
[M+HCOO]- 483.95130 192.3
[M+CH3COO]- 497.96695 230.3
[M+Na-2H]- 459.92777 178.1
[M]+ 438.95255 208.1
[M]- 438.95365 208.1
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.