CID 3007243

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

Structural Information

Molecular Formula
C22H18Cl2F3N3O3
SMILES
C1COCCN1C2=CC=CC(=C2C3=NOC(=C3)C4=CC(=CC=C4)NC(=O)C(Cl)Cl)C(F)(F)F
InChI
InChI=1S/C22H18Cl2F3N3O3/c23-20(24)21(31)28-14-4-1-3-13(11-14)18-12-16(29-33-18)19-15(22(25,26)27)5-2-6-17(19)30-7-9-32-10-8-30/h1-6,11-12,20H,7-10H2,(H,28,31)
InChIKey
KVFSXNHXFYEWFI-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-[2-morpholin-4-yl-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.06772 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.07500 212.8
[M+Na]+ 522.05694 219.3
[M-H]- 498.06044 219.1
[M+NH4]+ 517.10154 216.4
[M+K]+ 538.03088 214.0
[M+H-H2O]+ 482.06498 199.9
[M+HCOO]- 544.06592 214.2
[M+CH3COO]- 558.08157 218.9
[M+Na-2H]- 520.04239 210.0
[M]+ 499.06717 211.9
[M]- 499.06827 211.9
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.