CID 6446334

57319-88-7

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]+ 250.097486 159.6
[M+Na]+ 272.079428 171.5
[M-H]- 248.082934 162.5
[M+NH4]+ 267.124033 174.5
[M+K]+ 288.053368 164.7
[M+H-H2O]+ 232.087470 144.7
[M+HCOO]- 294.088411 176.8
[M+CH3COO]- 308.104061 170.2
[M+Na-2H]- 270.064876 162.1
[M]+ 249.08966142 155.7
[M]- 249.09075858 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.