CID 3046551

Brn 1498594

Structural Information

Molecular Formula
C24H19NO2
SMILES
CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)CC(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H19NO2/c1-25-20-15-9-8-14-19(20)23(24(25)18-12-6-3-7-13-18)22(27)16-21(26)17-10-4-2-5-11-17/h2-15H,16H2,1H3
InChIKey
MHPDAIIMHFWPBX-UHFFFAOYSA-N
Compound name
1-(1-methyl-2-phenylindol-3-yl)-3-phenylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.14157 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14885 186.1
[M+Na]+ 376.13079 194.2
[M-H]- 352.13429 195.8
[M+NH4]+ 371.17539 199.6
[M+K]+ 392.10473 187.6
[M+H-H2O]+ 336.13883 176.2
[M+HCOO]- 398.13977 207.5
[M+CH3COO]- 412.15542 196.9
[M+Na-2H]- 374.11624 187.6
[M]+ 353.14102 188.5
[M]- 353.14212 188.5
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.