CID 135446210

5-(5-chloro-2,4-dihydroxyphenyl)-n-ethyl-4-(4-methoxyphenyl)isoxazole-3-carboxamide

Structural Information

Molecular Formula
C19H17ClN2O5
SMILES
CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)OC)C3=CC(=C(C=C3O)O)Cl
InChI
InChI=1S/C19H17ClN2O5/c1-3-21-19(25)17-16(10-4-6-11(26-2)7-5-10)18(27-22-17)12-8-13(20)15(24)9-14(12)23/h4-9,23-24H,3H2,1-2H3,(H,21,25)
InChIKey
JXPCDMPJCKNLBY-UHFFFAOYSA-N
Compound name
5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

270
Patents

388.0826 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.08988 189.4
[M+Na]+ 411.07182 198.8
[M-H]- 387.07532 197.4
[M+NH4]+ 406.11642 199.6
[M+K]+ 427.04576 194.3
[M+H-H2O]+ 371.07986 181.5
[M+HCOO]- 433.08080 205.5
[M+CH3COO]- 447.09645 216.9
[M+Na-2H]- 409.05727 189.2
[M]+ 388.08205 195.7
[M]- 388.08315 195.7
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

patents stripe