CID 4599706

62871-32-3

Structural Information

Molecular Formula
C15H13BrN2O
SMILES
CCOC1=C(C=C(C=C1)Br)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C15H13BrN2O/c1-2-19-14-8-7-10(16)9-11(14)15-17-12-5-3-4-6-13(12)18-15/h3-9H,2H2,1H3,(H,17,18)
InChIKey
LJFBGSSNPFGXJV-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-ethoxyphenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.02112 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.028396 164.5
[M+Na]+ 339.010338 177.9
[M-H]- 315.013844 171.6
[M+NH4]+ 334.054943 182.7
[M+K]+ 354.984278 164.9
[M+H-H2O]+ 299.018380 163.2
[M+HCOO]- 361.019321 184.3
[M+CH3COO]- 375.034971 178.5
[M+Na-2H]- 336.995786 171.4
[M]+ 316.02057142 185.2
[M]- 316.02166858 185.2
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.