CID 6446334

Brn 1082833

Structural Information

Molecular Formula
C15H11N3O
SMILES
CC1=C2C(=CC=C1)NC(=N2)/C(=C/C3=CC=CO3)/C#N
InChI
InChI=1S/C15H11N3O/c1-10-4-2-6-13-14(10)18-15(17-13)11(9-16)8-12-5-3-7-19-12/h2-8H,1H3,(H,17,18)/b11-8+
InChIKey
CDSTVZBOFUABPX-DHZHZOJOSA-N
Compound name
(E)-3-(furan-2-yl)-2-(4-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.