CID 3046554

Brn 1490626

Structural Information

Molecular Formula
C23H17NO2
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)CC(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H17NO2/c25-20(16-9-3-1-4-10-16)15-21(26)22-18-13-7-8-14-19(18)24-23(22)17-11-5-2-6-12-17/h1-14,24H,15H2
InChIKey
LRUOVEAYKPZGPV-UHFFFAOYSA-N
Compound name
1-phenyl-3-(2-phenyl-1H-indol-3-yl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.12592 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13320 181.1
[M+Na]+ 362.11514 188.3
[M-H]- 338.11864 189.3
[M+NH4]+ 357.15974 194.3
[M+K]+ 378.08908 181.1
[M+H-H2O]+ 322.12318 171.7
[M+HCOO]- 384.12412 201.4
[M+CH3COO]- 398.13977 191.4
[M+Na-2H]- 360.10059 183.6
[M]+ 339.12537 181.0
[M]- 339.12647 181.0
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

No patent data available for this compound.