CID 5768678

Brn 1003723

Structural Information

Molecular Formula
C15H11N3O
SMILES
CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC=CO3)/C#N
InChI
InChI=1S/C15H11N3O/c1-10-4-5-13-14(7-10)18-15(17-13)11(9-16)8-12-3-2-6-19-12/h2-8H,1H3,(H,17,18)/b11-8+
InChIKey
YVIYLGQSCHPHFT-DHZHZOJOSA-N
Compound name
(E)-3-(furan-2-yl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

249.09021 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09749 159.6
[M+Na]+ 272.07943 171.5
[M-H]- 248.08293 162.5
[M+NH4]+ 267.12403 174.5
[M+K]+ 288.05337 164.7
[M+H-H2O]+ 232.08747 144.7
[M+HCOO]- 294.08841 176.8
[M+CH3COO]- 308.10406 170.2
[M+Na-2H]- 270.06488 162.1
[M]+ 249.08966 155.7
[M]- 249.09076 155.7
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