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 152.7
[M+Na]+ 261.09983 161.4
[M-H]- 237.10333 156.7
[M+NH4]+ 256.14443 169.5
[M+K]+ 277.07377 156.2
[M+H-H2O]+ 221.10787 144.2
[M+HCOO]- 283.10881 173.8
[M+CH3COO]- 297.12446 164.9
[M+Na-2H]- 259.08528 159.2
[M]+ 238.11006 153.4
[M]- 238.11116 153.4
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

patents stripe