CID 44244237

Chembl572898

Structural Information

Molecular Formula
C15H11BrN2O
SMILES
C1=CC(=CC(=C1)O)/C=C/C2=NC3=C(N2)C=C(C=C3)Br
InChI
InChI=1S/C15H11BrN2O/c16-11-5-6-13-14(9-11)18-15(17-13)7-4-10-2-1-3-12(19)8-10/h1-9,19H,(H,17,18)/b7-4+
InChIKey
SENYHNASSPOPLF-QPJJXVBHSA-N
Compound name
3-[(E)-2-(6-bromo-1H-benzimidazol-2-yl)ethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.0055 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.01278 164.0
[M+Na]+ 336.99472 177.3
[M-H]- 312.99822 170.0
[M+NH4]+ 332.03932 181.6
[M+K]+ 352.96866 163.0
[M+H-H2O]+ 297.00276 163.1
[M+HCOO]- 359.00370 182.7
[M+CH3COO]- 373.01935 177.5
[M+Na-2H]- 334.98017 170.5
[M]+ 314.00495 182.4
[M]- 314.00605 182.4
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.