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 174.0
[M+Na]+ 345.10705 180.1
[M-H]- 321.11055 182.1
[M+NH4]+ 340.15165 183.7
[M+K]+ 361.08099 176.4
[M+H-H2O]+ 305.11509 163.6
[M+HCOO]- 367.11603 197.9
[M+CH3COO]- 381.13168 184.1
[M+Na-2H]- 343.09250 177.5
[M]+ 322.11728 170.5
[M]- 322.11838 170.5
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.