CID 136192876

Chembl1650002

Structural Information

Molecular Formula
C17H16N6O3
SMILES
CO/N=C(\C1=CN=C(C=C1)C2=CC=C(O2)C3=NC=C(C=C3)/C(=N/O)/N)/N
InChI
InChI=1S/C17H16N6O3/c1-25-23-17(19)11-3-5-13(21-9-11)15-7-6-14(26-15)12-4-2-10(8-20-12)16(18)22-24/h2-9,24H,1H3,(H2,18,22)(H2,19,23)
InChIKey
RTNOOAOQALMKNE-UHFFFAOYSA-N
Compound name
N'-hydroxy-6-[5-[5-[(E)-N'-methoxycarbamimidoyl]pyridin-2-yl]furan-2-yl]pyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

352.1284 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13568 181.1
[M+Na]+ 375.11762 186.9
[M-H]- 351.12112 190.3
[M+NH4]+ 370.16222 190.1
[M+K]+ 391.09156 184.5
[M+H-H2O]+ 335.12566 170.0
[M+HCOO]- 397.12660 206.3
[M+CH3COO]- 411.14225 223.1
[M+Na-2H]- 373.10307 184.6
[M]+ 352.12785 180.9
[M]- 352.12895 180.9
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.