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]+ 236.081826 155.2
[M+Na]+ 258.063768 166.7
[M-H]- 234.067274 157.9
[M+NH4]+ 253.108373 170.3
[M+K]+ 274.037708 160.0
[M+H-H2O]+ 218.071810 140.1
[M+HCOO]- 280.072751 172.7
[M+CH3COO]- 294.088401 165.8
[M+Na-2H]- 256.049216 158.8
[M]+ 235.07400142 150.6
[M]- 235.07509858 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.