CID 598266

5-(1h-indol-3-ylmethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

Structural Information

Molecular Formula
C15H13NO4
SMILES
CC1(OC(=O)C(=CC2=CNC3=CC=CC=C32)C(=O)O1)C
InChI
InChI=1S/C15H13NO4/c1-15(2)19-13(17)11(14(18)20-15)7-9-8-16-12-6-4-3-5-10(9)12/h3-8,16H,1-2H3
InChIKey
QFHDZXBCJFKYRI-UHFFFAOYSA-N
Compound name
5-(1H-indol-3-ylmethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

271.08447 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.091746 158.0
[M+Na]+ 294.073688 168.7
[M-H]- 270.077194 165.2
[M+NH4]+ 289.118293 174.8
[M+K]+ 310.047628 166.1
[M+H-H2O]+ 254.081730 151.8
[M+HCOO]- 316.082671 176.5
[M+CH3COO]- 330.098321 171.0
[M+Na-2H]- 292.059136 163.4
[M]+ 271.08392142 159.7
[M]- 271.08501858 159.7
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.