CID 16075472

3-chloro-n-[3-chloro-2-oxo-4-(2,3,4-trimethoxyphenyl)cyclobutyl]-5-phenoxy-benzothiophene-2-carboxamide

Structural Information

Molecular Formula
C28H23Cl2NO6S
SMILES
COC1=C(C(=C(C=C1)C2C(C(=O)C2Cl)NC(=O)C3=C(C4=C(S3)C=CC(=C4)OC5=CC=CC=C5)Cl)OC)OC
InChI
InChI=1S/C28H23Cl2NO6S/c1-34-18-11-10-16(25(35-2)26(18)36-3)20-22(30)24(32)23(20)31-28(33)27-21(29)17-13-15(9-12-19(17)38-27)37-14-7-5-4-6-8-14/h4-13,20,22-23H,1-3H3,(H,31,33)
InChIKey
FDYMPQSMJCIQSO-UHFFFAOYSA-N
Compound name
3-chloro-N-[3-chloro-2-oxo-4-(2,3,4-trimethoxyphenyl)cyclobutyl]-5-phenoxy-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

571.0623 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.06958 222.0
[M+Na]+ 594.05152 229.7
[M-H]- 570.05502 234.9
[M+NH4]+ 589.09612 224.4
[M+K]+ 610.02546 227.7
[M+H-H2O]+ 554.05956 208.4
[M+HCOO]- 616.06050 229.8
[M+CH3COO]- 630.07615 253.3
[M+Na-2H]- 592.03697 217.8
[M]+ 571.06175 244.3
[M]- 571.06285 244.3
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.