CID 10870488

Chembl3526191

Structural Information

Molecular Formula
C16H14N6O
SMILES
C1=CC(=NC=C1C(=N)N)C2=CC=C(O2)C3=NC=C(C=C3)C(=N)N
InChI
InChI=1S/C16H14N6O/c17-15(18)9-1-3-11(21-7-9)13-5-6-14(23-13)12-4-2-10(8-22-12)16(19)20/h1-8H,(H3,17,18)(H3,19,20)
InChIKey
YIOIBLVIGXIOMG-UHFFFAOYSA-N
Compound name
6-[5-(5-carbamimidoylpyridin-2-yl)furan-2-yl]pyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

306.1229 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.13018 172.1
[M+Na]+ 329.11212 182.7
[M+NH4]+ 324.15672 177.7
[M+K]+ 345.08606 180.0
[M-H]- 305.11562 179.0
[M+Na-2H]- 327.09757 179.7
[M]+ 306.12235 175.1
[M]- 306.12345 175.1
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

patents stripe