CID 3007258

2,2-dichloro-n-[3-[3-[2,6-dichloro-4-(3-morpholinopropoxy)phenyl]isoxazol-5-yl]phenyl]acetamide

Structural Information

Molecular Formula
C24H23Cl4N3O4
SMILES
C1COCCN1CCCOC2=CC(=C(C(=C2)Cl)C3=NOC(=C3)C4=CC(=CC=C4)NC(=O)C(Cl)Cl)Cl
InChI
InChI=1S/C24H23Cl4N3O4/c25-18-12-17(34-8-2-5-31-6-9-33-10-7-31)13-19(26)22(18)20-14-21(35-30-20)15-3-1-4-16(11-15)29-24(32)23(27)28/h1,3-4,11-14,23H,2,5-10H2,(H,29,32)
InChIKey
DGMPQQWVOGTIBX-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-[2,6-dichloro-4-(3-morpholin-4-ylpropoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

557.04425 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.05153 225.4
[M+Na]+ 580.03347 230.2
[M-H]- 556.03697 231.9
[M+NH4]+ 575.07807 227.2
[M+K]+ 596.00741 226.4
[M+H-H2O]+ 540.04151 214.8
[M+HCOO]- 602.04245 220.2
[M+CH3COO]- 616.05810 229.7
[M+Na-2H]- 578.01892 219.5
[M]+ 557.04370 230.0
[M]- 557.04480 230.0
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.