CID 816799

60586-89-2

Structural Information

Molecular Formula
C13H14N2O
SMILES
CN1C(N(C2=CC=CC=C21)C)C3=CC=CO3
InChI
InChI=1S/C13H14N2O/c1-14-10-6-3-4-7-11(10)15(2)13(14)12-8-5-9-16-12/h3-9,13H,1-2H3
InChIKey
LHOWBYRIBZUJDM-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-1,3-dimethyl-2H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

214.11061 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.117886 146.8
[M+Na]+ 237.099828 157.1
[M-H]- 213.103334 153.3
[M+NH4]+ 232.144433 166.6
[M+K]+ 253.073768 154.6
[M+H-H2O]+ 197.107870 139.9
[M+HCOO]- 259.108811 168.3
[M+CH3COO]- 273.124461 160.7
[M+Na-2H]- 235.085276 150.2
[M]+ 214.11006142 148.8
[M]- 214.11115858 148.8
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.