CID 3046553

Brn 1503481

Structural Information

Molecular Formula
C24H18ClNO2
SMILES
CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)CC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H18ClNO2/c1-26-20-10-6-5-9-19(20)23(24(26)17-7-3-2-4-8-17)22(28)15-21(27)16-11-13-18(25)14-12-16/h2-14H,15H2,1H3
InChIKey
RMMAXJNOYVTYCQ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(1-methyl-2-phenylindol-3-yl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1026 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.10988 193.4
[M+Na]+ 410.09182 203.2
[M-H]- 386.09532 203.2
[M+NH4]+ 405.13642 206.8
[M+K]+ 426.06576 195.2
[M+H-H2O]+ 370.09986 184.0
[M+HCOO]- 432.10080 210.1
[M+CH3COO]- 446.11645 204.1
[M+Na-2H]- 408.07727 193.6
[M]+ 387.10205 198.7
[M]- 387.10315 198.7
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.