CID 49777727

N-[4-(4,5-dichloro-1h-benzimidazol-2-yl)phenyl]acetamide

Structural Information

Molecular Formula
C15H11Cl2N3O
SMILES
CC(=O)NC1=CC=C(C=C1)C2=NC3=C(N2)C=CC(=C3Cl)Cl
InChI
InChI=1S/C15H11Cl2N3O/c1-8(21)18-10-4-2-9(3-5-10)15-19-12-7-6-11(16)13(17)14(12)20-15/h2-7H,1H3,(H,18,21)(H,19,20)
InChIKey
SHTREECGVUKKJN-UHFFFAOYSA-N
Compound name
N-[4-(4,5-dichloro-1H-benzimidazol-2-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.02792 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.03520 169.6
[M+Na]+ 342.01714 181.4
[M-H]- 318.02064 173.6
[M+NH4]+ 337.06174 184.9
[M+K]+ 357.99108 173.2
[M+H-H2O]+ 302.02518 162.2
[M+HCOO]- 364.02612 182.0
[M+CH3COO]- 378.04177 180.9
[M+Na-2H]- 340.00259 173.0
[M]+ 319.02737 173.5
[M]- 319.02847 173.5
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.