CID 3068977

Benzimidazole, 6-chloro-2-phenoxymethyl-1-((4-pyridylamino)methyl)-

Structural Information

Molecular Formula
C20H17ClN4O
SMILES
C1=CC=C(C=C1)OCC2=NC3=C(N2CNC4=CC=NC=C4)C=C(C=C3)Cl
InChI
InChI=1S/C20H17ClN4O/c21-15-6-7-18-19(12-15)25(14-23-16-8-10-22-11-9-16)20(24-18)13-26-17-4-2-1-3-5-17/h1-12H,13-14H2,(H,22,23)
InChIKey
XOEPXHGDJVMJQH-UHFFFAOYSA-N
Compound name
N-[[6-chloro-2-(phenoxymethyl)benzimidazol-1-yl]methyl]pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1091 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.11638 185.6
[M+Na]+ 387.09832 203.6
[M+NH4]+ 382.14292 194.0
[M+K]+ 403.07226 194.8
[M-H]- 363.10182 192.2
[M+Na-2H]- 385.08377 197.1
[M]+ 364.10855 190.5
[M]- 364.10965 190.5
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.