CID 16075476

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

Structural Information

Molecular Formula
C24H16Cl2N2O3S
SMILES
C1N(N=C(O1)C2=C(C3=C(S2)C=CC(=C3)OC4=CC=CC=C4)Cl)C(=O)CC5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H16Cl2N2O3S/c25-16-8-6-15(7-9-16)12-21(29)28-14-30-24(27-28)23-22(26)19-13-18(10-11-20(19)32-23)31-17-4-2-1-3-5-17/h1-11,13H,12,14H2
InChIKey
XPMHTUWPDPEMBE-UHFFFAOYSA-N
Compound name
1-[5-(3-chloro-5-phenoxy-1-benzothiophen-2-yl)-2H-1,3,4-oxadiazol-3-yl]-2-(4-chlorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.02588 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.03316 212.7
[M+Na]+ 505.01510 224.5
[M-H]- 481.01860 225.4
[M+NH4]+ 500.05970 223.0
[M+K]+ 520.98904 218.2
[M+H-H2O]+ 465.02314 204.6
[M+HCOO]- 527.02408 219.6
[M+CH3COO]- 541.03973 222.5
[M+Na-2H]- 503.00055 209.1
[M]+ 482.02533 222.9
[M]- 482.02643 222.9
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.