CID 3007253

2,2-dichloro-n-[3-[3-(2-ethoxyphenyl)isoxazol-5-yl]phenyl]-n-methyl-acetamide

Structural Information

Molecular Formula
C20H18Cl2N2O3
SMILES
CCOC1=CC=CC=C1C2=NOC(=C2)C3=CC(=CC=C3)N(C)C(=O)C(Cl)Cl
InChI
InChI=1S/C20H18Cl2N2O3/c1-3-26-17-10-5-4-9-15(17)16-12-18(27-23-16)13-7-6-8-14(11-13)24(2)20(25)19(21)22/h4-12,19H,3H2,1-2H3
InChIKey
OATUJJSHISTTPM-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2-ethoxyphenyl)-1,2-oxazol-5-yl]phenyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.06946 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.07674 194.4
[M+Na]+ 427.05868 202.2
[M-H]- 403.06218 204.3
[M+NH4]+ 422.10328 205.7
[M+K]+ 443.03262 198.0
[M+H-H2O]+ 387.06672 185.6
[M+HCOO]- 449.06766 207.0
[M+CH3COO]- 463.08331 223.9
[M+Na-2H]- 425.04413 193.5
[M]+ 404.06891 202.5
[M]- 404.07001 202.5
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.