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]pyridin-2-yl]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]+ 337.14076 179.5
[M+Na]+ 359.12270 189.8
[M+NH4]+ 354.16730 184.6
[M+K]+ 375.09664 187.2
[M-H]- 335.12620 186.4
[M+Na-2H]- 357.10815 187.0
[M]+ 336.13293 182.4
[M]- 336.13403 182.4
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.