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 178.7
[M+Na]+ 359.12270 184.7
[M-H]- 335.12620 187.9
[M+NH4]+ 354.16730 188.4
[M+K]+ 375.09664 181.6
[M+H-H2O]+ 319.13074 167.7
[M+HCOO]- 381.13168 203.7
[M+CH3COO]- 395.14733 221.5
[M+Na-2H]- 357.10815 182.0
[M]+ 336.13293 177.2
[M]- 336.13403 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.