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]+ 331.044046 169.1
[M+Na]+ 353.025988 182.0
[M-H]- 329.029494 176.0
[M+NH4]+ 348.070593 186.7
[M+K]+ 368.999928 168.8
[M+H-H2O]+ 313.034030 167.6
[M+HCOO]- 375.034971 188.5
[M+CH3COO]- 389.050621 182.7
[M+Na-2H]- 351.011436 175.4
[M]+ 330.03622142 190.1
[M]- 330.03731858 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.