CID 4176008

2-(1-phenoxyethyl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C15H14N2O
SMILES
CC(C1=NC2=CC=CC=C2N1)OC3=CC=CC=C3
InChI
InChI=1S/C15H14N2O/c1-11(18-12-7-3-2-4-8-12)15-16-13-9-5-6-10-14(13)17-15/h2-11H,1H3,(H,16,17)
InChIKey
LXOLJRITACRNID-UHFFFAOYSA-N
Compound name
2-(1-phenoxyethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.11061 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 153.2
[M+Na]+ 261.09983 168.4
[M+NH4]+ 256.14443 162.0
[M+K]+ 277.07377 162.3
[M-H]- 237.10333 156.9
[M+Na-2H]- 259.08528 162.5
[M]+ 238.11006 156.5
[M]- 238.11116 156.5
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.