CID 3046552

Brn 1511048

Structural Information

Molecular Formula
C30H23NO2
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C4=CC=CC=C4)C(=O)CC(=O)C5=CC=CC=C5
InChI
InChI=1S/C30H23NO2/c32-27(23-14-6-2-7-15-23)20-28(33)29-25-18-10-11-19-26(25)31(21-22-12-4-1-5-13-22)30(29)24-16-8-3-9-17-24/h1-19H,20-21H2
InChIKey
PJAAFGVNBDAWBH-UHFFFAOYSA-N
Compound name
1-(1-benzyl-2-phenylindol-3-yl)-3-phenylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.17288 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.18016 208.2
[M+Na]+ 452.16210 214.3
[M-H]- 428.16560 220.0
[M+NH4]+ 447.20670 217.5
[M+K]+ 468.13604 206.3
[M+H-H2O]+ 412.17014 196.2
[M+HCOO]- 474.17108 228.1
[M+CH3COO]- 488.18673 216.8
[M+Na-2H]- 450.14755 208.3
[M]+ 429.17233 209.3
[M]- 429.17343 209.3
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.