CID 491946

2-[[2-[2-(2-pyridyl)ethyl]benzimidazol-1-yl]methoxy]ethanol

Structural Information

Molecular Formula
C17H19N3O2
SMILES
C1=CC=C2C(=C1)N=C(N2COCCO)CCC3=CC=CC=N3
InChI
InChI=1S/C17H19N3O2/c21-11-12-22-13-20-16-7-2-1-6-15(16)19-17(20)9-8-14-5-3-4-10-18-14/h1-7,10,21H,8-9,11-13H2
InChIKey
KSSJPSPASAMBHM-UHFFFAOYSA-N
Compound name
2-[[2-(2-pyridin-2-ylethyl)benzimidazol-1-yl]methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.14774 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15502 169.1
[M+Na]+ 320.13696 177.9
[M-H]- 296.14046 171.6
[M+NH4]+ 315.18156 182.4
[M+K]+ 336.11090 172.2
[M+H-H2O]+ 280.14500 159.1
[M+HCOO]- 342.14594 189.3
[M+CH3COO]- 356.16159 179.9
[M+Na-2H]- 318.12241 174.9
[M]+ 297.14719 173.3
[M]- 297.14829 173.3
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.