CID 816799

Gnf-pf-2412

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]+ 215.11789 146.8
[M+Na]+ 237.09983 157.1
[M-H]- 213.10333 153.3
[M+NH4]+ 232.14443 166.6
[M+K]+ 253.07377 154.6
[M+H-H2O]+ 197.10787 139.9
[M+HCOO]- 259.10881 168.3
[M+CH3COO]- 273.12446 160.7
[M+Na-2H]- 235.08528 150.2
[M]+ 214.11006 148.8
[M]- 214.11116 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.