CID 11566232

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

Structural Information

Molecular Formula
C19H13ClN2O2
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)C=CC(=C3)Cl)CN4C=CN=C4
InChI
InChI=1S/C19H13ClN2O2/c20-14-6-7-17-15(10-14)16(11-22-9-8-21-12-22)19(24-17)18(23)13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKey
OPPHRRHLLSRCJK-UHFFFAOYSA-N
Compound name
[5-chloro-3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.06656 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07384 177.5
[M+Na]+ 359.05578 188.8
[M-H]- 335.05928 187.3
[M+NH4]+ 354.10038 192.3
[M+K]+ 375.02972 183.0
[M+H-H2O]+ 319.06382 168.8
[M+HCOO]- 381.06476 195.4
[M+CH3COO]- 395.08041 189.8
[M+Na-2H]- 357.04123 179.5
[M]+ 336.06601 183.9
[M]- 336.06711 183.9
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.