CID 7117292

N-(1h-indol-3-yloxoacetyl)glycine ethyl ester

Structural Information

Molecular Formula
C14H14N2O4
SMILES
CCOC(=O)CNC(=O)C(=O)C1=CNC2=CC=CC=C21
InChI
InChI=1S/C14H14N2O4/c1-2-20-12(17)8-16-14(19)13(18)10-7-15-11-6-4-3-5-9(10)11/h3-7,15H,2,8H2,1H3,(H,16,19)
InChIKey
DFYSCFGRDTZECI-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.09537 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10265 160.8
[M+Na]+ 297.08459 167.6
[M-H]- 273.08809 162.9
[M+NH4]+ 292.12919 177.1
[M+K]+ 313.05853 164.8
[M+H-H2O]+ 257.09263 153.7
[M+HCOO]- 319.09357 182.4
[M+CH3COO]- 333.10922 196.8
[M+Na-2H]- 295.07004 163.9
[M]+ 274.09482 163.3
[M]- 274.09592 163.3
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.