CID 409927

1-(2-phenylethyl)-1h-benzimidazole

Structural Information

Molecular Formula
C15H14N2
SMILES
C1=CC=C(C=C1)CCN2C=NC3=CC=CC=C32
InChI
InChI=1S/C15H14N2/c1-2-6-13(7-3-1)10-11-17-12-16-14-8-4-5-9-15(14)17/h1-9,12H,10-11H2
InChIKey
GLKFHNCBBKKHGM-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

59
Patents

222.11569 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12297 148.8
[M+Na]+ 245.10491 158.5
[M-H]- 221.10841 154.0
[M+NH4]+ 240.14951 167.2
[M+K]+ 261.07885 153.1
[M+H-H2O]+ 205.11295 140.0
[M+HCOO]- 267.11389 172.3
[M+CH3COO]- 281.12954 162.0
[M+Na-2H]- 243.09036 156.9
[M]+ 222.11514 150.6
[M]- 222.11624 150.6
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