CID 3007268

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

Structural Information

Molecular Formula
C23H22Cl3N3O4
SMILES
C1COCCN1CCOC2=C(C(=CC=C2)Cl)C3=NOC(=C3)C4=CC(=CC=C4)NC(=O)C(Cl)Cl
InChI
InChI=1S/C23H22Cl3N3O4/c24-17-5-2-6-19(32-12-9-29-7-10-31-11-8-29)21(17)18-14-20(33-28-18)15-3-1-4-16(13-15)27-23(30)22(25)26/h1-6,13-14,22H,7-12H2,(H,27,30)
InChIKey
YCPBOAKAQGBSGT-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-[2-chloro-6-(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

509.0676 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.07488 216.8
[M+Na]+ 532.05682 221.8
[M-H]- 508.06032 225.2
[M+NH4]+ 527.10142 220.1
[M+K]+ 548.03076 217.7
[M+H-H2O]+ 492.06486 206.0
[M+HCOO]- 554.06580 217.3
[M+CH3COO]- 568.08145 222.7
[M+Na-2H]- 530.04227 213.2
[M]+ 509.06705 221.3
[M]- 509.06815 221.3
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.