CID 44244066

Chembl582886

Structural Information

Molecular Formula
C17H15BrN2O2
SMILES
COC1=C(C=C(C=C1)/C=C/C2=NC3=C(N2)C=C(C=C3)Br)OC
InChI
InChI=1S/C17H15BrN2O2/c1-21-15-7-3-11(9-16(15)22-2)4-8-17-19-13-6-5-12(18)10-14(13)20-17/h3-10H,1-2H3,(H,19,20)/b8-4+
InChIKey
UZDJLLPGXBHNLY-XBXARRHUSA-N
Compound name
6-bromo-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.03168 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.03896 175.5
[M+Na]+ 381.02090 188.9
[M-H]- 357.02440 182.6
[M+NH4]+ 376.06550 192.2
[M+K]+ 396.99484 175.5
[M+H-H2O]+ 341.02894 173.8
[M+HCOO]- 403.02988 194.9
[M+CH3COO]- 417.04553 188.8
[M+Na-2H]- 379.00635 180.6
[M]+ 358.03113 197.7
[M]- 358.03223 197.7
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.