CID 136961847

Chembl3526466

Structural Information

Molecular Formula
C16H14N6O2
SMILES
C1=CC(=NC=C1C(=N)N)C2=CC=C(O2)C3=NC=C(C=C3)/C(=N/O)/N
InChI
InChI=1S/C16H14N6O2/c17-15(18)9-1-3-11(20-7-9)13-5-6-14(24-13)12-4-2-10(8-21-12)16(19)22-23/h1-8,23H,(H3,17,18)(H2,19,22)
InChIKey
SHKYPOQUICFFIQ-UHFFFAOYSA-N
Compound name
6-[5-[5-[(Z)-N'-hydroxycarbamimidoyl]pyridin-2-yl]furan-2-yl]pyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.11783 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12511 175.2
[M+Na]+ 345.10705 185.3
[M+NH4]+ 340.15165 180.2
[M+K]+ 361.08099 183.2
[M-H]- 321.11055 181.7
[M+Na-2H]- 343.09250 182.4
[M]+ 322.11728 178.0
[M]- 322.11838 178.0
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.