CID 490525

Ethyl 5-(4-chlorophenyl)-3-(4-methoxyphenyl)isoxazole-4-carboxylate

Structural Information

Molecular Formula
C19H16ClNO4
SMILES
CCOC(=O)C1=C(ON=C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H16ClNO4/c1-3-24-19(22)16-17(12-6-10-15(23-2)11-7-12)21-25-18(16)13-4-8-14(20)9-5-13/h4-11H,3H2,1-2H3
InChIKey
BPMYJBKPVRLXCM-UHFFFAOYSA-N
Compound name
ethyl 5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.07678 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08406 181.9
[M+Na]+ 380.06600 191.7
[M-H]- 356.06950 191.8
[M+NH4]+ 375.11060 194.7
[M+K]+ 396.03994 187.8
[M+H-H2O]+ 340.07404 173.3
[M+HCOO]- 402.07498 199.7
[M+CH3COO]- 416.09063 211.3
[M+Na-2H]- 378.05145 183.1
[M]+ 357.07623 190.0
[M]- 357.07733 190.0
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

No patent data available for this compound.