CID 11630877

3h-indole-3,3-dipropanoic acid, 1-ethyl-1,2-dihydro-2-oxo-

Structural Information

Molecular Formula
C16H19NO5
SMILES
CCN1C2=CC=CC=C2C(C1=O)(CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C16H19NO5/c1-2-17-12-6-4-3-5-11(12)16(15(17)22,9-7-13(18)19)10-8-14(20)21/h3-6H,2,7-10H2,1H3,(H,18,19)(H,20,21)
InChIKey
YGKNNOQNZZTLPS-UHFFFAOYSA-N
Compound name
3-[3-(2-carboxyethyl)-1-ethyl-2-oxoindol-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.1263 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13358 169.2
[M+Na]+ 328.11552 176.5
[M-H]- 304.11902 169.7
[M+NH4]+ 323.16012 186.3
[M+K]+ 344.08946 173.0
[M+H-H2O]+ 288.12356 163.8
[M+HCOO]- 350.12450 185.8
[M+CH3COO]- 364.14015 200.5
[M+Na-2H]- 326.10097 169.9
[M]+ 305.12575 171.9
[M]- 305.12685 171.9
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.