CID 3007252

Schembl5150353

Structural Information

Molecular Formula
C18H12Cl4N2O2
SMILES
CN(C1=CC=CC(=C1)C2=CC(=NO2)C3=C(C=CC=C3Cl)Cl)C(=O)C(Cl)Cl
InChI
InChI=1S/C18H12Cl4N2O2/c1-24(18(25)17(21)22)11-5-2-4-10(8-11)15-9-14(23-26-15)16-12(19)6-3-7-13(16)20/h2-9,17H,1H3
InChIKey
FIALFCPVFMCDMG-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[3-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]phenyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

427.9653 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.97258 194.5
[M+Na]+ 450.95452 203.4
[M-H]- 426.95802 201.4
[M+NH4]+ 445.99912 204.9
[M+K]+ 466.92846 198.4
[M+H-H2O]+ 410.96256 186.9
[M+HCOO]- 472.96350 196.3
[M+CH3COO]- 486.97915 203.1
[M+Na-2H]- 448.93997 191.5
[M]+ 427.96475 200.5
[M]- 427.96585 200.5
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

patents stripe