CID 3007283

2,2-dichloro-n-[3-[3-[2-chloro-6-[2-(1-piperidyl)ethoxy]phenyl]isoxazol-5-yl]phenyl]acetamide

Structural Information

Molecular Formula
C24H24Cl3N3O3
SMILES
C1CCN(CC1)CCOC2=C(C(=CC=C2)Cl)C3=NOC(=C3)C4=CC(=CC=C4)NC(=O)C(Cl)Cl
InChI
InChI=1S/C24H24Cl3N3O3/c25-18-8-5-9-20(32-13-12-30-10-2-1-3-11-30)22(18)19-15-21(33-29-19)16-6-4-7-17(14-16)28-24(31)23(26)27/h4-9,14-15,23H,1-3,10-13H2,(H,28,31)
InChIKey
YWRWDUSTEJDQCH-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-[2-chloro-6-(2-piperidin-1-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.08832 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.09560 216.9
[M+Na]+ 530.07754 221.6
[M-H]- 506.08104 224.4
[M+NH4]+ 525.12214 221.6
[M+K]+ 546.05148 215.6
[M+H-H2O]+ 490.08558 205.8
[M+HCOO]- 552.08652 217.9
[M+CH3COO]- 566.10217 222.5
[M+Na-2H]- 528.06299 212.4
[M]+ 507.08777 219.8
[M]- 507.08887 219.8
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.