CID 3007236

2,2-dichloro-n-[3-[3-(2-fluoro-6-morpholinosulfonyl-phenyl)isoxazol-5-yl]phenyl]acetamide

Structural Information

Molecular Formula
C21H18Cl2FN3O5S
SMILES
C1COCCN1S(=O)(=O)C2=CC=CC(=C2C3=NOC(=C3)C4=CC(=CC=C4)NC(=O)C(Cl)Cl)F
InChI
InChI=1S/C21H18Cl2FN3O5S/c22-20(23)21(28)25-14-4-1-3-13(11-14)17-12-16(26-32-17)19-15(24)5-2-6-18(19)33(29,30)27-7-9-31-10-8-27/h1-6,11-12,20H,7-10H2,(H,25,28)
InChIKey
RUYDQJBHFYDSKQ-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2-fluoro-6-morpholin-4-ylsulfonylphenyl)-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.03284 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.04012 212.4
[M+Na]+ 536.02206 219.2
[M-H]- 512.02556 222.3
[M+NH4]+ 531.06666 216.1
[M+K]+ 551.99600 215.5
[M+H-H2O]+ 496.03010 203.1
[M+HCOO]- 558.03104 213.0
[M+CH3COO]- 572.04669 219.5
[M+Na-2H]- 534.00751 210.5
[M]+ 513.03229 216.7
[M]- 513.03339 216.7
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.