CID 4338915

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

Structural Information

Molecular Formula
C20H15BrN2O
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C20H15BrN2O/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
QQLDYVZWIRVTKD-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-phenylmethoxyphenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.03677 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.04405 182.4
[M+Na]+ 401.02599 194.4
[M-H]- 377.02949 192.0
[M+NH4]+ 396.07059 197.4
[M+K]+ 416.99993 180.7
[M+H-H2O]+ 361.03403 180.0
[M+HCOO]- 423.03497 201.6
[M+CH3COO]- 437.05062 194.9
[M+Na-2H]- 399.01144 188.5
[M]+ 378.03622 202.0
[M]- 378.03732 202.0
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.