CID 3044912

Brn 0446521

Structural Information

Molecular Formula
C17H21NO5
SMILES
CCCOC(=O)CN1C(=C(C2=C1C=CC(=C2)OC)CC(=O)O)C
InChI
InChI=1S/C17H21NO5/c1-4-7-23-17(21)10-18-11(2)13(9-16(19)20)14-8-12(22-3)5-6-15(14)18/h5-6,8H,4,7,9-10H2,1-3H3,(H,19,20)
InChIKey
OVNYZKHYGLFJLL-UHFFFAOYSA-N
Compound name
2-[5-methoxy-2-methyl-1-(2-oxo-2-propoxyethyl)indol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.14197 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14925 173.4
[M+Na]+ 342.13119 182.2
[M-H]- 318.13469 175.9
[M+NH4]+ 337.17579 189.1
[M+K]+ 358.10513 179.5
[M+H-H2O]+ 302.13923 166.6
[M+HCOO]- 364.14017 193.8
[M+CH3COO]- 378.15582 207.0
[M+Na-2H]- 340.11664 173.6
[M]+ 319.14142 181.7
[M]- 319.14252 181.7
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.