CID 118753047

Chembl3526453

Structural Information

Molecular Formula
C17H16N6O2
SMILES
CO/N=C(/C1=CN=C(C=C1)C2=CC=C(O2)C3=NC=C(C=C3)C(=N)N)\N
InChI
InChI=1S/C17H16N6O2/c1-24-23-17(20)11-3-5-13(22-9-11)15-7-6-14(25-15)12-4-2-10(8-21-12)16(18)19/h2-9H,1H3,(H3,18,19)(H2,20,23)
InChIKey
YFRKBXFEZJONPH-UHFFFAOYSA-N
Compound name
6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]-2-pyridinyl]furan-2-yl]pyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.13348 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.140756 178.7
[M+Na]+ 359.122698 184.7
[M-H]- 335.126204 187.9
[M+NH4]+ 354.167303 188.4
[M+K]+ 375.096638 181.6
[M+H-H2O]+ 319.130740 167.7
[M+HCOO]- 381.131681 203.7
[M+CH3COO]- 395.147331 221.5
[M+Na-2H]- 357.108146 182.0
[M]+ 336.13293142 177.2
[M]- 336.13402858 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.