CID 16075474

1,3,4-oxadiazole, 5-(3-chloro-5-phenoxybenzo[b]thien-2-yl)-2,3-dihydro-3-(phenylacetyl)-

Structural Information

Molecular Formula
C24H17ClN2O3S
SMILES
C1N(N=C(O1)C2=C(C3=C(S2)C=CC(=C3)OC4=CC=CC=C4)Cl)C(=O)CC5=CC=CC=C5
InChI
InChI=1S/C24H17ClN2O3S/c25-22-19-14-18(30-17-9-5-2-6-10-17)11-12-20(19)31-23(22)24-26-27(15-29-24)21(28)13-16-7-3-1-4-8-16/h1-12,14H,13,15H2
InChIKey
NVQCPFAESMTHHB-UHFFFAOYSA-N
Compound name
1-[5-(3-chloro-5-phenoxy-1-benzothiophen-2-yl)-2H-1,3,4-oxadiazol-3-yl]-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.06485 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.07213 205.7
[M+Na]+ 471.05407 216.7
[M-H]- 447.05757 219.0
[M+NH4]+ 466.09867 216.7
[M+K]+ 487.02801 210.8
[M+H-H2O]+ 431.06211 197.4
[M+HCOO]- 493.06305 217.9
[M+CH3COO]- 507.07870 216.2
[M+Na-2H]- 469.03952 203.6
[M]+ 448.06430 214.3
[M]- 448.06540 214.3
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.