CID 244860

3h-indole-3,3-diacetic acid, 1,2-dihydro-1-methyl-2-oxo-, diethyl ester

Structural Information

Molecular Formula
C17H21NO5
SMILES
CCOC(=O)CC1(C2=CC=CC=C2N(C1=O)C)CC(=O)OCC
InChI
InChI=1S/C17H21NO5/c1-4-22-14(19)10-17(11-15(20)23-5-2)12-8-6-7-9-13(12)18(3)16(17)21/h6-9H,4-5,10-11H2,1-3H3
InChIKey
QOIUSKOSFNHJFC-UHFFFAOYSA-N
Compound name
ethyl 2-[3-(2-ethoxy-2-oxoethyl)-1-methyl-2-oxoindol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.14197 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14925 172.8
[M+Na]+ 342.13119 180.7
[M-H]- 318.13469 175.9
[M+NH4]+ 337.17579 190.9
[M+K]+ 358.10513 178.7
[M+H-H2O]+ 302.13923 166.7
[M+HCOO]- 364.14017 192.1
[M+CH3COO]- 378.15582 206.9
[M+Na-2H]- 340.11664 173.9
[M]+ 319.14142 179.4
[M]- 319.14252 179.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.