CID 6869295

(e)-n'-((z)-2-bromo-3-phenylallylidene)nicotinohydrazide

Structural Information

Molecular Formula

C₁₅H₁₂BrN₃O

SMILES

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

InChI

InChI=1S/C15H12BrN3O/c16-14(9-12-5-2-1-3-6-12)11-18-19-15(20)13-7-4-8-17-10-13/h1-11H,(H,19,20)/b14-9-,18-11+

InChIKey

TVSMUAJOTDYHDE-MCVIOFPKSA-N

Compound name

N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2
Patents: 329.01636 Da
Monoisotopic Mass: 3.1
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]+	330.023636	165.6
[M+Na]+	352.005578	173.5
[M-H]-	328.009084	173.8
[M+NH4]+	347.050183	181.2
[M+K]+	367.979518	161.0
[M+H-H2O]+	312.013620	162.2
[M+HCOO]-	374.014561	187.9
[M+CH3COO]-	388.030211	208.0
[M+Na-2H]-	349.991026	172.9
[M]+	329.01581142	182.4
[M]-	329.01690858	182.4

Literature stripe

literature stripe

Patent stripe

patents stripe