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]+ 271.107706 159.6
[M+Na]+ 293.089648 170.6
[M-H]- 269.093154 166.8
[M+NH4]+ 288.134253 177.0
[M+K]+ 309.063588 168.5
[M+H-H2O]+ 253.097690 152.3
[M+HCOO]- 315.098631 182.7
[M+CH3COO]- 329.114281 173.3
[M+Na-2H]- 291.075096 162.9
[M]+ 270.09988142 166.6
[M]- 270.10097858 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.