CID 136130326

Chembl145118

Structural Information

Molecular Formula
C16H14N6O3
SMILES
C1=CC(=NC=C1/C(=N\O)/N)C2=CC=C(O2)C3=NC=C(C=C3)/C(=N/O)/N
InChI
InChI=1S/C16H14N6O3/c17-15(21-23)9-1-3-11(19-7-9)13-5-6-14(25-13)12-4-2-10(8-20-12)16(18)22-24/h1-8,23-24H,(H2,17,21)(H2,18,22)
InChIKey
KNGZDDMFCPNENL-UHFFFAOYSA-N
Compound name
N'-hydroxy-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

3
References

0
Patents

338.11273 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12001 176.4
[M+Na]+ 361.10195 182.3
[M-H]- 337.10545 184.6
[M+NH4]+ 356.14655 185.4
[M+K]+ 377.07589 179.4
[M+H-H2O]+ 321.10999 165.8
[M+HCOO]- 383.11093 200.5
[M+CH3COO]- 397.12658 218.2
[M+Na-2H]- 359.08740 180.0
[M]+ 338.11218 174.2
[M]- 338.11328 174.2
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.