CID 100403

1,3-butanedione, 1-(2-phenyl-1h-indol-3-yl)-

Structural Information

Molecular Formula
C18H15NO2
SMILES
CC(=O)CC(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C18H15NO2/c1-12(20)11-16(21)17-14-9-5-6-10-15(14)19-18(17)13-7-3-2-4-8-13/h2-10,19H,11H2,1H3
InChIKey
WSVUDCGHZTZRRU-UHFFFAOYSA-N
Compound name
1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1103 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 163.9
[M+Na]+ 300.09952 178.3
[M+NH4]+ 295.14412 171.9
[M+K]+ 316.07346 172.7
[M-H]- 276.10302 167.3
[M+Na-2H]- 298.08497 171.7
[M]+ 277.10975 166.9
[M]- 277.11085 166.9
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

No patent data available for this compound.