CID 131751633

Ethyl 2-hydroxy-3-(3-indolyl)propanoate glucoside

Structural Information

Molecular Formula
C19H25NO8
SMILES
CCOC(=O)C(CC1=CNC2=CC=CC=C21)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C19H25NO8/c1-2-26-18(25)13(7-10-8-20-12-6-4-3-5-11(10)12)27-19-17(24)16(23)15(22)14(9-21)28-19/h3-6,8,13-17,19-24H,2,7,9H2,1H3
InChIKey
GWMMTXPUFREJAY-UHFFFAOYSA-N
Compound name
ethyl 3-(1H-indol-3-yl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.15802 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.16530 189.1
[M+Na]+ 418.14724 193.2
[M-H]- 394.15074 189.4
[M+NH4]+ 413.19184 196.7
[M+K]+ 434.12118 191.2
[M+H-H2O]+ 378.15528 182.0
[M+HCOO]- 440.15622 199.0
[M+CH3COO]- 454.17187 211.2
[M+Na-2H]- 416.13269 186.8
[M]+ 395.15747 190.2
[M]- 395.15857 190.2
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.