CID 3046555

Brn 1500336

Structural Information

Molecular Formula
C23H16ClNO2
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)CC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H16ClNO2/c24-17-12-10-15(11-13-17)20(26)14-21(27)22-18-8-4-5-9-19(18)25-23(22)16-6-2-1-3-7-16/h1-13,25H,14H2
InChIKey
AJIPMIRWEMTWFW-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-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

373.08694 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.09422 188.3
[M+Na]+ 396.07616 197.3
[M-H]- 372.07966 196.6
[M+NH4]+ 391.12076 201.3
[M+K]+ 412.05010 188.7
[M+H-H2O]+ 356.08420 179.4
[M+HCOO]- 418.08514 204.0
[M+CH3COO]- 432.10079 198.6
[M+Na-2H]- 394.06161 189.5
[M]+ 373.08639 191.2
[M]- 373.08749 191.2
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.