CID 16729030

Chembl400425

Structural Information

Molecular Formula
C22H19BrN2O
SMILES
C1=CC=C(C=C1)C(CN2C=NC3=CC=CC=C32)OCC4=CC=C(C=C4)Br
InChI
InChI=1S/C22H19BrN2O/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
YIDYYGFVNWYRKX-UHFFFAOYSA-N
Compound name
1-[2-[(4-bromophenyl)methoxy]-2-phenylethyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.06808 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.07536 191.5
[M+Na]+ 429.05730 201.8
[M-H]- 405.06080 201.7
[M+NH4]+ 424.10190 205.7
[M+K]+ 445.03124 189.0
[M+H-H2O]+ 389.06534 188.3
[M+HCOO]- 451.06628 210.4
[M+CH3COO]- 465.08193 203.3
[M+Na-2H]- 427.04275 196.5
[M]+ 406.06753 212.3
[M]- 406.06863 212.3
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.