CID 5716861

1h-benzimidazole-2-acetonitrile, alpha-(2-furanylmethylene)-

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 155.2
[M+Na]+ 258.06377 166.7
[M-H]- 234.06727 157.9
[M+NH4]+ 253.10837 170.3
[M+K]+ 274.03771 160.0
[M+H-H2O]+ 218.07181 140.1
[M+HCOO]- 280.07275 172.7
[M+CH3COO]- 294.08840 165.8
[M+Na-2H]- 256.04922 158.8
[M]+ 235.07400 150.6
[M]- 235.07510 150.6
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.