CID 508423

1h-indole-2,3-dione, 1-heptyl-7-phenyl-

Structural Information

Molecular Formula
C21H23NO2
SMILES
CCCCCCCN1C2=C(C=CC=C2C(=O)C1=O)C3=CC=CC=C3
InChI
InChI=1S/C21H23NO2/c1-2-3-4-5-9-15-22-19-17(16-11-7-6-8-12-16)13-10-14-18(19)20(23)21(22)24/h6-8,10-14H,2-5,9,15H2,1H3
InChIKey
FJYVWONIMYBYLF-UHFFFAOYSA-N
Compound name
1-heptyl-7-phenylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

321.17288 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.180156 179.0
[M+Na]+ 344.162098 186.9
[M-H]- 320.165604 185.0
[M+NH4]+ 339.206703 195.0
[M+K]+ 360.136038 180.7
[M+H-H2O]+ 304.170140 170.4
[M+HCOO]- 366.171081 199.5
[M+CH3COO]- 380.186731 210.4
[M+Na-2H]- 342.147546 179.6
[M]+ 321.17233142 182.0
[M]- 321.17342858 182.0
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