CID 3772674

1-hexadecyl-1h-indole-2,3-dione

Structural Information

Molecular Formula
C24H37NO2
SMILES
CCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(=O)C1=O
InChI
InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-22-19-16-15-18-21(22)23(26)24(25)27/h15-16,18-19H,2-14,17,20H2,1H3
InChIKey
JLUGWHXZCKLPBY-UHFFFAOYSA-N
Compound name
1-hexadecylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

371.28244 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.28972 198.7
[M+Na]+ 394.27166 203.0
[M-H]- 370.27516 199.7
[M+NH4]+ 389.31626 212.7
[M+K]+ 410.24560 196.7
[M+H-H2O]+ 354.27970 190.1
[M+HCOO]- 416.28064 216.7
[M+CH3COO]- 430.29629 222.4
[M+Na-2H]- 392.25711 196.2
[M]+ 371.28189 204.9
[M]- 371.28299 204.9
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

patents stripe