CID 6895715

4-bromo-n'-(2-methyl-3-phenyl-2-propenylidene)benzohydrazide

Structural Information

Molecular Formula

C₁₇H₁₅BrN₂O

SMILES

C/C(=C/C1=CC=CC=C1)/C=N/NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H15BrN2O/c1-13(11-14-5-3-2-4-6-14)12-19-20-17(21)15-7-9-16(18)10-8-15/h2-12H,1H3,(H,20,21)/b13-11-,19-12+

InChIKey

LJOZANQOUBSLBE-MDWFKHSNSA-N

Compound name

4-bromo-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 342.03677 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	343.044046	172.4
[M+Na]+	365.025988	180.4
[M-H]-	341.029494	181.9
[M+NH4]+	360.070593	189.0
[M+K]+	380.999928	167.6
[M+H-H2O]+	325.034030	169.5
[M+HCOO]-	387.034971	195.2
[M+CH3COO]-	401.050621	212.2
[M+Na-2H]-	363.011436	177.5
[M]+	342.03622142	189.6
[M]-	342.03731858	189.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.