CID 15958518

Methyl 5-(1-ethylindol-3-yl)isoxazole-3-carboxylate

Structural Information

Molecular Formula
C15H14N2O3
SMILES
CCN1C=C(C2=CC=CC=C21)C3=CC(=NO3)C(=O)OC
InChI
InChI=1S/C15H14N2O3/c1-3-17-9-11(10-6-4-5-7-13(10)17)14-8-12(16-20-14)15(18)19-2/h4-9H,3H2,1-2H3
InChIKey
FXHBMNWBGRKSKE-UHFFFAOYSA-N
Compound name
methyl 5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.10043 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 159.6
[M+Na]+ 293.08965 170.6
[M-H]- 269.09315 166.8
[M+NH4]+ 288.13425 177.0
[M+K]+ 309.06359 168.5
[M+H-H2O]+ 253.09769 152.3
[M+HCOO]- 315.09863 182.7
[M+CH3COO]- 329.11428 173.3
[M+Na-2H]- 291.07510 162.9
[M]+ 270.09988 166.6
[M]- 270.10098 166.6
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.