CID 985377

Ethyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate

Structural Information

Molecular Formula
C20H17ClN2O4
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C
InChI
InChI=1S/C20H17ClN2O4/c1-3-26-20(25)13-8-10-14(11-9-13)22-19(24)17-12(2)27-23-18(17)15-6-4-5-7-16(15)21/h4-11H,3H2,1-2H3,(H,22,24)
InChIKey
AESRNHRINLCZHF-UHFFFAOYSA-N
Compound name
ethyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

384.08768 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09496 190.5
[M+Na]+ 407.07690 198.9
[M-H]- 383.08040 200.4
[M+NH4]+ 402.12150 201.7
[M+K]+ 423.05084 194.8
[M+H-H2O]+ 367.08494 181.7
[M+HCOO]- 429.08588 208.3
[M+CH3COO]- 443.10153 218.9
[M+Na-2H]- 405.06235 190.6
[M]+ 384.08713 197.1
[M]- 384.08823 197.1
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