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]+ 320.149246 173.4
[M+Na]+ 342.131188 182.2
[M-H]- 318.134694 175.9
[M+NH4]+ 337.175793 189.1
[M+K]+ 358.105128 179.5
[M+H-H2O]+ 302.139230 166.6
[M+HCOO]- 364.140171 193.8
[M+CH3COO]- 378.155821 207.0
[M+Na-2H]- 340.116636 173.6
[M]+ 319.14142142 181.7
[M]- 319.14251858 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.