CID 3007237

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

Structural Information

Molecular Formula
C25H27Cl2N3O4
SMILES
CC1=CC(=CC(=C1C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl)C)OCCN4CCOCC4
InChI
InChI=1S/C25H27Cl2N3O4/c1-16-12-20(33-11-8-30-6-9-32-10-7-30)13-17(2)23(16)21-15-22(34-29-21)18-4-3-5-19(14-18)28-25(31)24(26)27/h3-5,12-15,24H,6-11H2,1-2H3,(H,28,31)
InChIKey
GKCZPEUFHXGWRS-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-[2,6-dimethyl-4-(2-morpholin-4-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.13785 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.14513 222.3
[M+Na]+ 526.12707 227.4
[M-H]- 502.13057 232.1
[M+NH4]+ 521.17167 225.7
[M+K]+ 542.10101 223.1
[M+H-H2O]+ 486.13511 211.1
[M+HCOO]- 548.13605 227.4
[M+CH3COO]- 562.15170 228.7
[M+Na-2H]- 524.11252 217.8
[M]+ 503.13730 227.3
[M]- 503.13840 227.3
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.