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

6
Patents

321.17288 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 179.0
[M+Na]+ 344.16210 186.9
[M-H]- 320.16560 185.0
[M+NH4]+ 339.20670 195.0
[M+K]+ 360.13604 180.7
[M+H-H2O]+ 304.17014 170.4
[M+HCOO]- 366.17108 199.5
[M+CH3COO]- 380.18673 210.4
[M+Na-2H]- 342.14755 179.6
[M]+ 321.17233 182.0
[M]- 321.17343 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