CID 16729029

Chembl398991

Structural Information

Molecular Formula
C22H19ClN2O
SMILES
C1=CC=C(C=C1)C(CN2C=NC3=CC=CC=C32)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H19ClN2O/c23-19-12-10-17(11-13-19)15-26-22(18-6-2-1-3-7-18)14-25-16-24-20-8-4-5-9-21(20)25/h1-13,16,22H,14-15H2
InChIKey
JHHGRJZUQOIWCE-UHFFFAOYSA-N
Compound name
1-[2-[(4-chlorophenyl)methoxy]-2-phenylethyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.1186 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12588 186.2
[M+Na]+ 385.10782 195.0
[M-H]- 361.11132 193.8
[M+NH4]+ 380.15242 198.9
[M+K]+ 401.08176 186.9
[M+H-H2O]+ 345.11586 175.4
[M+HCOO]- 407.11680 202.6
[M+CH3COO]- 421.13245 196.5
[M+Na-2H]- 383.09327 190.0
[M]+ 362.11805 190.9
[M]- 362.11915 190.9
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.