CID 11639305

[5-chloro-3-(imidazol-1-ylmethyl)benzofuran-2-yl]-(4-chlorophenyl)methanone

Structural Information

Molecular Formula
C19H12Cl2N2O2
SMILES
C1=CC(=CC=C1C(=O)C2=C(C3=C(O2)C=CC(=C3)Cl)CN4C=CN=C4)Cl
InChI
InChI=1S/C19H12Cl2N2O2/c20-13-3-1-12(2-4-13)18(24)19-16(10-23-8-7-22-11-23)15-9-14(21)5-6-17(15)25-19/h1-9,11H,10H2
InChIKey
ANEYZBOYFVKWBP-UHFFFAOYSA-N
Compound name
[5-chloro-3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.0276 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.034876 185.4
[M+Na]+ 393.016818 197.7
[M-H]- 369.020324 194.5
[M+NH4]+ 388.061423 199.4
[M+K]+ 408.990758 191.1
[M+H-H2O]+ 353.024860 176.9
[M+HCOO]- 415.025801 197.9
[M+CH3COO]- 429.041451 197.0
[M+Na-2H]- 391.002266 185.7
[M]+ 370.02705142 193.4
[M]- 370.02814858 193.4
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.