CID 16075465

3-chloro-n-(3-chloro-2-oxo-4-phenyl-cyclobutyl)-5-phenoxy-benzothiophene-2-carboxamide

Structural Information

Molecular Formula
C25H17Cl2NO3S
SMILES
C1=CC=C(C=C1)C2C(C(=O)C2Cl)NC(=O)C3=C(C4=C(S3)C=CC(=C4)OC5=CC=CC=C5)Cl
InChI
InChI=1S/C25H17Cl2NO3S/c26-20-17-13-16(31-15-9-5-2-6-10-15)11-12-18(17)32-24(20)25(30)28-22-19(21(27)23(22)29)14-7-3-1-4-8-14/h1-13,19,21-22H,(H,28,30)
InChIKey
WCGHSLFVCUWMHR-UHFFFAOYSA-N
Compound name
3-chloro-N-(3-chloro-2-oxo-4-phenylcyclobutyl)-5-phenoxy-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.0306 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.03788 201.3
[M+Na]+ 504.01982 210.2
[M-H]- 480.02332 214.1
[M+NH4]+ 499.06442 207.3
[M+K]+ 519.99376 205.4
[M+H-H2O]+ 464.02786 188.3
[M+HCOO]- 526.02880 210.1
[M+CH3COO]- 540.04445 210.7
[M+Na-2H]- 502.00527 199.5
[M]+ 481.03005 218.0
[M]- 481.03115 218.0
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.