CID 136192876

Chembl1650002

Structural Information

Molecular Formula

C₁₇H₁₆N₆O₃

SMILES

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

InChI

InChI=1S/C17H16N6O3/c1-25-23-17(19)11-3-5-13(21-9-11)15-7-6-14(26-15)12-4-2-10(8-20-12)16(18)22-24/h2-9,24H,1H3,(H2,18,22)(H2,19,23)

InChIKey

RTNOOAOQALMKNE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 352.1284 Da
Monoisotopic Mass: 0.8
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]+	353.135676	181.1
[M+Na]+	375.117618	186.9
[M-H]-	351.121124	190.3
[M+NH4]+	370.162223	190.1
[M+K]+	391.091558	184.5
[M+H-H2O]+	335.125660	170.0
[M+HCOO]-	397.126601	206.3
[M+CH3COO]-	411.142251	223.1
[M+Na-2H]-	373.103066	184.6
[M]+	352.12785142	180.9
[M]-	352.12894858	180.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.