CID 9575581

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

Structural Information

Molecular Formula
C18H13Cl2N3O3
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)O/N=C(/C3=C(C=C(C=C3)Cl)Cl)\N
InChI
InChI=1S/C18H13Cl2N3O3/c1-10-15(16(22-25-10)11-5-3-2-4-6-11)18(24)26-23-17(21)13-8-7-12(19)9-14(13)20/h2-9H,1H3,(H2,21,23)
InChIKey
JWLQXLPVOLQXSS-UHFFFAOYSA-N
Compound name
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.0334 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.04068 191.2
[M+Na]+ 412.02262 200.5
[M-H]- 388.02612 201.3
[M+NH4]+ 407.06722 202.9
[M+K]+ 427.99656 195.5
[M+H-H2O]+ 372.03066 182.7
[M+HCOO]- 434.03160 206.1
[M+CH3COO]- 448.04725 221.8
[M+Na-2H]- 410.00807 191.2
[M]+ 389.03285 197.3
[M]- 389.03395 197.3
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.