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]+ 331.155346 175.8
[M+Na]+ 353.137288 184.2
[M-H]- 329.140794 182.7
[M+NH4]+ 348.181893 187.4
[M+K]+ 369.111228 177.2
[M+H-H2O]+ 313.145330 164.1
[M+HCOO]- 375.146271 198.4
[M+CH3COO]- 389.161921 186.4
[M+Na-2H]- 351.122736 183.5
[M]+ 330.14752142 178.0
[M]- 330.14861858 178.0
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.