CID 234264

Nsc33759

Structural Information

Molecular Formula

C₁₃H₁₀BrN₃O₂

SMILES

C1=CC(=C(C=C1Br)C=NNC(=O)C2=CC=NC=C2)O

InChI

InChI=1S/C13H10BrN3O2/c14-11-1-2-12(18)10(7-11)8-16-17-13(19)9-3-5-15-6-4-9/h1-8,18H,(H,17,19)

InChIKey

UFNBDHGHPMABQB-UHFFFAOYSA-N

Compound name

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 3
Patents: 318.99564 Da
Monoisotopic Mass: 2.1
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]+	320.00292	161.8
[M+Na]+	341.98486	165.0
[M+NH4]+	337.02946	165.2
[M+K]+	357.95880	164.7
[M-H]-	317.98836	164.0
[M+Na-2H]-	339.97031	166.9
[M]+	318.99509	161.5
[M]-	318.99619	161.5

Literature stripe

literature stripe

Patent stripe

patents stripe