CID 44435502

Chembl442245

Structural Information

Molecular Formula
C20H14N4O2
SMILES
COC1=NC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C20H14N4O2/c1-25-19-9-6-13(12-22-19)18-8-7-15(26-18)10-14(11-21)20-23-16-4-2-3-5-17(16)24-20/h2-10,12H,1H3,(H,23,24)/b14-10+
InChIKey
FAGZYRUMPFFHEG-GXDHUFHOSA-N
Compound name
(E)-2-(1H-benzimidazol-2-yl)-3-[5-(6-methoxypyridin-3-yl)furan-2-yl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.11166 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11894 181.9
[M+Na]+ 365.10088 193.3
[M-H]- 341.10438 185.7
[M+NH4]+ 360.14548 191.4
[M+K]+ 381.07482 184.9
[M+H-H2O]+ 325.10892 164.8
[M+HCOO]- 387.10986 197.2
[M+CH3COO]- 401.12551 190.4
[M+Na-2H]- 363.08633 182.6
[M]+ 342.11111 178.8
[M]- 342.11221 178.8
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.