CID 15958519

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

Structural Information

Molecular Formula
C20H16N2O3
SMILES
COC(=O)C1=NOC(=C1)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4
InChI
InChI=1S/C20H16N2O3/c1-24-20(23)17-11-19(25-21-17)16-13-22(12-14-7-3-2-4-8-14)18-10-6-5-9-15(16)18/h2-11,13H,12H2,1H3
InChIKey
AKAJBBMPCVUPOK-UHFFFAOYSA-N
Compound name
methyl 5-(1-benzylindol-3-yl)-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.1161 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12338 176.5
[M+Na]+ 355.10532 186.5
[M-H]- 331.10882 186.7
[M+NH4]+ 350.14992 190.7
[M+K]+ 371.07926 182.8
[M+H-H2O]+ 315.11336 167.7
[M+HCOO]- 377.11430 199.1
[M+CH3COO]- 391.12995 188.9
[M+Na-2H]- 353.09077 178.9
[M]+ 332.11555 182.5
[M]- 332.11665 182.5
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.