CID 465663

Chembl44002

Structural Information

Molecular Formula
C21H15ClN2O2
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)OCC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C21H15ClN2O2/c22-15-10-11-19(16(12-15)21(25)14-6-2-1-3-7-14)26-13-20-23-17-8-4-5-9-18(17)24-20/h1-12H,13H2,(H,23,24)
InChIKey
XGIUYZNNEVXMAS-UHFFFAOYSA-N
Compound name
[2-(1H-benzimidazol-2-ylmethoxy)-5-chlorophenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.0822 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.08948 183.8
[M+Na]+ 385.07142 193.6
[M-H]- 361.07492 190.9
[M+NH4]+ 380.11602 196.0
[M+K]+ 401.04536 185.3
[M+H-H2O]+ 345.07946 173.8
[M+HCOO]- 407.08040 199.6
[M+CH3COO]- 421.09605 194.2
[M+Na-2H]- 383.05687 187.2
[M]+ 362.08165 187.6
[M]- 362.08275 187.6
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.