CID 3007304

Schembl5150812

Structural Information

Molecular Formula
C18H12Cl4N2O3
SMILES
COC1=C(C=C(C=C1)C2=CC(=NO2)C3=C(C=CC=C3Cl)Cl)NC(=O)C(Cl)Cl
InChI
InChI=1S/C18H12Cl4N2O3/c1-26-14-6-5-9(7-12(14)23-18(25)17(21)22)15-8-13(24-27-15)16-10(19)3-2-4-11(16)20/h2-8,17H,1H3,(H,23,25)
InChIKey
QXJBGROAURXDEG-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[5-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-2-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

443.9602 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.96748 196.8
[M+Na]+ 466.94942 206.1
[M-H]- 442.95292 202.8
[M+NH4]+ 461.99402 206.3
[M+K]+ 482.92336 200.9
[M+H-H2O]+ 426.95746 189.6
[M+HCOO]- 488.95840 198.3
[M+CH3COO]- 502.97405 205.1
[M+Na-2H]- 464.93487 193.9
[M]+ 443.95965 203.2
[M]- 443.96075 203.2
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

patents stripe