CID 3046559

62367-91-3

Structural Information

Molecular Formula
C22H21NO3
SMILES
CC(=O)CCC(C(=O)C)C(=O)C1=C(NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C22H21NO3/c1-14(24)12-13-17(15(2)25)22(26)20-18-10-6-7-11-19(18)23-21(20)16-8-4-3-5-9-16/h3-11,17,23H,12-13H2,1-2H3
InChIKey
HAOKFTHJLHBUBN-UHFFFAOYSA-N
Compound name
3-(2-phenyl-1H-indole-3-carbonyl)heptane-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.15213 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.15941 182.8
[M+Na]+ 370.14135 195.1
[M+NH4]+ 365.18595 188.9
[M+K]+ 386.11529 190.7
[M-H]- 346.14485 184.8
[M+Na-2H]- 368.12680 188.4
[M]+ 347.15158 184.9
[M]- 347.15268 184.9
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.