CID 24847657

Brn 5602299

Structural Information

Molecular Formula
C17H20N2O4
SMILES
CCOC(=O)C(C(C)C)NC(=O)C(=O)C1=CNC2=CC=CC=C21
InChI
InChI=1S/C17H20N2O4/c1-4-23-17(22)14(10(2)3)19-16(21)15(20)12-9-18-13-8-6-5-7-11(12)13/h5-10,14,18H,4H2,1-3H3,(H,19,21)
InChIKey
TYWWKQFCOVQASG-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.1423 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14958 173.3
[M+Na]+ 339.13152 181.1
[M+NH4]+ 334.17612 177.7
[M+K]+ 355.10546 180.0
[M-H]- 315.13502 171.9
[M+Na-2H]- 337.11697 175.1
[M]+ 316.14175 173.4
[M]- 316.14285 173.4
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.