CID 9575582

[(z)-[amino-(2,4-dichlorophenyl)methylene]amino] 3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carboxylate

Structural Information

Molecular Formula
C18H11Cl4N3O3
SMILES
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)O/N=C(/C3=C(C=C(C=C3)Cl)Cl)\N
InChI
InChI=1S/C18H11Cl4N3O3/c1-8-14(16(24-27-8)15-11(20)3-2-4-12(15)21)18(26)28-25-17(23)10-6-5-9(19)7-13(10)22/h2-7H,1H3,(H2,23,25)
InChIKey
NHJFYNACNQXVHW-UHFFFAOYSA-N
Compound name
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

456.95544 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.96272 203.9
[M+Na]+ 479.94466 213.9
[M-H]- 455.94816 211.0
[M+NH4]+ 474.98926 213.2
[M+K]+ 495.91860 208.6
[M+H-H2O]+ 439.95270 196.6
[M+HCOO]- 501.95364 207.4
[M+CH3COO]- 515.96929 232.5
[M+Na-2H]- 477.93011 200.0
[M]+ 456.95489 210.3
[M]- 456.95599 210.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.