CID 4373577

1h-benzimidazole, 2-[5-chloro-2-(phenylmethoxy)phenyl]-

Structural Information

Molecular Formula
C20H15ClN2O
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C20H15ClN2O/c21-15-10-11-19(24-13-14-6-2-1-3-7-14)16(12-15)20-22-17-8-4-5-9-18(17)23-20/h1-12H,13H2,(H,22,23)
InChIKey
INEHVQRHSCHQDH-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-phenylmethoxyphenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.08728 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09456 177.2
[M+Na]+ 357.07650 187.8
[M-H]- 333.08000 184.2
[M+NH4]+ 352.12110 190.9
[M+K]+ 373.05044 178.9
[M+H-H2O]+ 317.08454 167.3
[M+HCOO]- 379.08548 194.0
[M+CH3COO]- 393.10113 188.3
[M+Na-2H]- 355.06195 182.1
[M]+ 334.08673 180.5
[M]- 334.08783 180.5
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.