CID 3007286

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

Structural Information

Molecular Formula
C22H23Cl3N4O2
SMILES
CN(C)CCN(C)C1=C(C(=CC=C1)Cl)C2=NOC(=C2)C3=CC(=CC=C3)NC(=O)C(Cl)Cl
InChI
InChI=1S/C22H23Cl3N4O2/c1-28(2)10-11-29(3)18-9-5-8-16(23)20(18)17-13-19(31-27-17)14-6-4-7-15(12-14)26-22(30)21(24)25/h4-9,12-13,21H,10-11H2,1-3H3,(H,26,30)
InChIKey
KJOKXAAODJXPTG-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-[2-chloro-6-[2-(dimethylamino)ethyl-methylamino]phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.08865 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.09593 217.2
[M+Na]+ 503.07787 223.3
[M-H]- 479.08137 226.8
[M+NH4]+ 498.12247 225.8
[M+K]+ 519.05181 219.1
[M+H-H2O]+ 463.08591 208.0
[M+HCOO]- 525.08685 226.0
[M+CH3COO]- 539.10250 245.4
[M+Na-2H]- 501.06332 213.8
[M]+ 480.08810 225.6
[M]- 480.08920 225.6
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.