CID 136130326

Chembl145118

Structural Information

Molecular Formula

C₁₆H₁₄N₆O₃

SMILES

C1=CC(=NC=C1/C(=N\O)/N)C2=CC=C(O2)C3=NC=C(C=C3)/C(=N/O)/N

InChI

InChI=1S/C16H14N6O3/c17-15(21-23)9-1-3-11(19-7-9)13-5-6-14(25-13)12-4-2-10(8-20-12)16(18)22-24/h1-8,23-24H,(H2,17,21)(H2,18,22)

InChIKey

KNGZDDMFCPNENL-UHFFFAOYSA-N

Compound name

N'-hydroxy-6-[5-[5-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]furan-2-yl]pyridine-3-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 338.11273 Da
Monoisotopic Mass: 0.5
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]+	339.120006	176.4
[M+Na]+	361.101948	182.3
[M-H]-	337.105454	184.6
[M+NH4]+	356.146553	185.4
[M+K]+	377.075888	179.4
[M+H-H2O]+	321.109990	165.8
[M+HCOO]-	383.110931	200.5
[M+CH3COO]-	397.126581	218.2
[M+Na-2H]-	359.087396	180.0
[M]+	338.11218142	174.2
[M]-	338.11327858	174.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.