CID 469157

Chembl22289

Structural Information

Molecular Formula
C18H17BrCl2N2
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2C3=CC(=C(C=C3N=C2Br)Cl)Cl
InChI
InChI=1S/C18H17BrCl2N2/c1-18(2,3)12-6-4-11(5-7-12)10-23-16-9-14(21)13(20)8-15(16)22-17(23)19/h4-9H,10H2,1-3H3
InChIKey
SEGZOYLGHCOSFK-UHFFFAOYSA-N
Compound name
2-bromo-1-[(4-tert-butylphenyl)methyl]-5,6-dichlorobenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

409.9952 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.00248 187.8
[M+Na]+ 432.98442 204.0
[M-H]- 408.98792 195.7
[M+NH4]+ 428.02902 205.1
[M+K]+ 448.95836 188.4
[M+H-H2O]+ 392.99246 186.9
[M+HCOO]- 454.99340 196.7
[M+CH3COO]- 469.00905 200.9
[M+Na-2H]- 430.96987 191.5
[M]+ 409.99465 212.6
[M]- 409.99575 212.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.