CID 3068974

Benzimidazole, 2-phenoxymethyl-1-((4-pyridylamino)methyl)-

Structural Information

Molecular Formula
C20H18N4O
SMILES
C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2CNC4=CC=NC=C4
InChI
InChI=1S/C20H18N4O/c1-2-6-17(7-3-1)25-14-20-23-18-8-4-5-9-19(18)24(20)15-22-16-10-12-21-13-11-16/h1-13H,14-15H2,(H,21,22)
InChIKey
JMZKPQHXMWGCJT-UHFFFAOYSA-N
Compound name
N-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.14807 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15535 178.4
[M+Na]+ 353.13729 195.2
[M+NH4]+ 348.18189 186.6
[M+K]+ 369.11123 187.3
[M-H]- 329.14079 184.9
[M+Na-2H]- 351.12274 190.3
[M]+ 330.14752 182.8
[M]- 330.14862 182.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.