CID 5716861

57319-72-9

Structural Information

Molecular Formula
C14H9N3O
SMILES
C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC=CO3)/C#N
InChI
InChI=1S/C14H9N3O/c15-9-10(8-11-4-3-7-18-11)14-16-12-5-1-2-6-13(12)17-14/h1-8H,(H,16,17)/b10-8+
InChIKey
PINFVMBXAWOWAD-CSKARUKUSA-N
Compound name
(E)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

235.07455 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08183 155.8
[M+Na]+ 258.06377 168.7
[M+NH4]+ 253.10837 160.2
[M+K]+ 274.03771 162.0
[M-H]- 234.06727 151.7
[M+Na-2H]- 256.04922 159.6
[M]+ 235.07400 155.6
[M]- 235.07510 155.6
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

No patent data available for this compound.