CID 4614203

62871-35-6

Structural Information

Molecular Formula
C17H17BrN2O
SMILES
CC(C)COC1=C(C=C(C=C1)Br)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C17H17BrN2O/c1-11(2)10-21-16-8-7-12(18)9-13(16)17-19-14-5-3-4-6-15(14)20-17/h3-9,11H,10H2,1-2H3,(H,19,20)
InChIKey
GSMWKLYPZFYRIG-UHFFFAOYSA-N
Compound name
2-[5-bromo-2-(2-methylpropoxy)phenyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.05243 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05971 174.2
[M+Na]+ 367.04165 186.3
[M-H]- 343.04515 181.1
[M+NH4]+ 362.08625 191.2
[M+K]+ 383.01559 173.4
[M+H-H2O]+ 327.04969 172.6
[M+HCOO]- 389.05063 192.3
[M+CH3COO]- 403.06628 187.2
[M+Na-2H]- 365.02710 178.9
[M]+ 344.05188 194.9
[M]- 344.05298 194.9
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.