CID 3807073

3-(2-ethoxy-2-oxoethyl)-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C13H13NO4
SMILES
CCOC(=O)CC1=C(NC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C13H13NO4/c1-2-18-11(15)7-9-8-5-3-4-6-10(8)14-12(9)13(16)17/h3-6,14H,2,7H2,1H3,(H,16,17)
InChIKey
KQSJKIFUOUFTQO-UHFFFAOYSA-N
Compound name
3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

247.08446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09174 154.1
[M+Na]+ 270.07368 164.9
[M+NH4]+ 265.11828 160.0
[M+K]+ 286.04762 162.3
[M-H]- 246.07718 153.0
[M+Na-2H]- 268.05913 157.3
[M]+ 247.08391 154.9
[M]- 247.08501 154.9
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

patents stripe