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 175.0
[M+Na]+ 339.13152 179.8
[M-H]- 315.13502 176.8
[M+NH4]+ 334.17612 189.4
[M+K]+ 355.10546 177.6
[M+H-H2O]+ 299.13956 167.7
[M+HCOO]- 361.14050 193.5
[M+CH3COO]- 375.15615 207.6
[M+Na-2H]- 337.11697 174.2
[M]+ 316.14175 177.3
[M]- 316.14285 177.3
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.