CID 44244515

Chembl3526190

Structural Information

Molecular Formula
C18H18N6O3
SMILES
CO/N=C(\N)/C1=CN=C(C=C1)C2=CC=C(O2)C3=NC=C(C=C3)/C(=N/OC)/N
InChI
InChI=1S/C18H18N6O3/c1-25-23-17(19)11-3-5-13(21-9-11)15-7-8-16(27-15)14-6-4-12(10-22-14)18(20)24-26-2/h3-10H,1-2H3,(H2,19,23)(H2,20,24)
InChIKey
ZDUJNRUPUQLCRY-UHFFFAOYSA-N
Compound name
N'-methoxy-6-[5-[5-[(Z)-N'-methoxycarbamimidoyl]pyridin-2-yl]furan-2-yl]pyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

366.14404 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15132 186.7
[M+Na]+ 389.13326 196.9
[M+NH4]+ 384.17786 191.4
[M+K]+ 405.10720 194.2
[M-H]- 365.13676 193.6
[M+Na-2H]- 387.11871 194.1
[M]+ 366.14349 189.6
[M]- 366.14459 189.6
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