CID 3007303

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

Structural Information

Molecular Formula
C23H21Cl4N3O4
SMILES
C1COCCN1CCOC2=C(C=C(C=C2)C3=CC(=NO3)C4=C(C=CC=C4Cl)Cl)NC(=O)C(Cl)Cl
InChI
InChI=1S/C23H21Cl4N3O4/c24-15-2-1-3-16(25)21(15)18-13-20(34-29-18)14-4-5-19(17(12-14)28-23(31)22(26)27)33-11-8-30-6-9-32-10-7-30/h1-5,12-13,22H,6-11H2,(H,28,31)
InChIKey
GHKBQICMFGRPKW-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[5-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-2-(2-morpholin-4-ylethoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.0286 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.03588 221.4
[M+Na]+ 566.01782 226.6
[M-H]- 542.02132 228.0
[M+NH4]+ 561.06242 223.7
[M+K]+ 581.99176 222.9
[M+H-H2O]+ 526.02586 210.9
[M+HCOO]- 588.02680 216.4
[M+CH3COO]- 602.04245 226.1
[M+Na-2H]- 564.00327 215.9
[M]+ 543.02805 225.7
[M]- 543.02915 225.7
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.