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]+ 371.03488 185.4
[M+Na]+ 393.01682 197.7
[M-H]- 369.02032 194.5
[M+NH4]+ 388.06142 199.4
[M+K]+ 408.99076 191.1
[M+H-H2O]+ 353.02486 176.9
[M+HCOO]- 415.02580 197.9
[M+CH3COO]- 429.04145 197.0
[M+Na-2H]- 391.00227 185.7
[M]+ 370.02705 193.4
[M]- 370.02815 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.