CID 3007255

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

Structural Information

Molecular Formula
C20H17Cl4N3O2
SMILES
CN(C)C1=CC(=C(C(=C1)Cl)C2=NOC(=C2)C3=CC(=CC=C3)N(C)C(=O)C(Cl)Cl)Cl
InChI
InChI=1S/C20H17Cl4N3O2/c1-26(2)13-8-14(21)18(15(22)9-13)16-10-17(29-25-16)11-5-4-6-12(7-11)27(3)20(28)19(23)24/h4-10,19H,1-3H3
InChIKey
HKPRFVHEXUFQRO-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-[2,6-dichloro-4-(dimethylamino)phenyl]-1,2-oxazol-5-yl]phenyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.00748 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.01476 208.2
[M+Na]+ 493.99670 216.3
[M-H]- 470.00020 216.5
[M+NH4]+ 489.04130 217.6
[M+K]+ 509.97064 212.4
[M+H-H2O]+ 454.00474 200.3
[M+HCOO]- 516.00568 211.0
[M+CH3COO]- 530.02133 240.0
[M+Na-2H]- 491.98215 203.4
[M]+ 471.00693 216.2
[M]- 471.00803 216.2
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.