CID 136961847

Chembl3526466

Structural Information

Molecular Formula

C₁₆H₁₄N₆O₂

SMILES

C1=CC(=NC=C1C(=N)N)C2=CC=C(O2)C3=NC=C(C=C3)/C(=N/O)/N

InChI

InChI=1S/C16H14N6O2/c17-15(18)9-1-3-11(20-7-9)13-5-6-14(24-13)12-4-2-10(8-21-12)16(19)22-23/h1-8,23H,(H3,17,18)(H2,19,22)

InChIKey

SHKYPOQUICFFIQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 322.11783 Da
Monoisotopic Mass: 0.3
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]+	323.125106	174.0
[M+Na]+	345.107048	180.1
[M-H]-	321.110554	182.1
[M+NH4]+	340.151653	183.7
[M+K]+	361.080988	176.4
[M+H-H2O]+	305.115090	163.6
[M+HCOO]-	367.116031	197.9
[M+CH3COO]-	381.131681	184.1
[M+Na-2H]-	343.092496	177.5
[M]+	322.11728142	170.5
[M]-	322.11837858	170.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.