CID 11522313

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

Structural Information

Molecular Formula
C19H14N2O2
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)CN4C=CN=C4
InChI
InChI=1S/C19H14N2O2/c22-18(14-6-2-1-3-7-14)19-16(12-21-11-10-20-13-21)15-8-4-5-9-17(15)23-19/h1-11,13H,12H2
InChIKey
KNAQXAHBCBYBLU-UHFFFAOYSA-N
Compound name
[3-(imidazol-1-ylmethyl)-1-benzofuran-2-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.10553 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11281 168.4
[M+Na]+ 325.09475 178.1
[M-H]- 301.09825 178.2
[M+NH4]+ 320.13935 183.4
[M+K]+ 341.06869 173.9
[M+H-H2O]+ 285.10279 159.6
[M+HCOO]- 347.10373 191.2
[M+CH3COO]- 361.11938 181.0
[M+Na-2H]- 323.08020 171.9
[M]+ 302.10498 172.3
[M]- 302.10608 172.3
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.