CID 4168204

2-(5-bromo-2-propoxy-phenyl)-1h-benzoimidazole

Structural Information

Molecular Formula
C16H15BrN2O
SMILES
CCCOC1=C(C=C(C=C1)Br)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C16H15BrN2O/c1-2-9-20-15-8-7-11(17)10-12(15)16-18-13-5-3-4-6-14(13)19-16/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKey
BJVBVNBQRNCCNH-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-propoxyphenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.03677 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.04405 169.1
[M+Na]+ 353.02599 182.0
[M-H]- 329.02949 176.0
[M+NH4]+ 348.07059 186.7
[M+K]+ 368.99993 168.8
[M+H-H2O]+ 313.03403 167.6
[M+HCOO]- 375.03497 188.5
[M+CH3COO]- 389.05062 182.7
[M+Na-2H]- 351.01144 175.4
[M]+ 330.03622 190.1
[M]- 330.03732 190.1
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.