CID 5388203

Nsc633483

Structural Information

Molecular Formula
C31H24N2O
SMILES
C1C(N(C2=CC=CC=C21)C(=O)/C(=C/C3=CC=CC=C3)/C4=CC=CC=C4)C5=CNC6=CC=CC=C65
InChI
InChI=1S/C31H24N2O/c34-31(26(23-13-5-2-6-14-23)19-22-11-3-1-4-12-22)33-29-18-10-7-15-24(29)20-30(33)27-21-32-28-17-9-8-16-25(27)28/h1-19,21,30,32H,20H2/b26-19+
InChIKey
KHXLHKWBDXAZSK-LGUFXXKBSA-N
Compound name
(E)-1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-2,3-diphenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.18887 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.19615 208.9
[M+Na]+ 463.17809 214.5
[M-H]- 439.18159 219.4
[M+NH4]+ 458.22269 218.6
[M+K]+ 479.15203 204.8
[M+H-H2O]+ 423.18613 197.6
[M+HCOO]- 485.18707 224.9
[M+CH3COO]- 499.20272 216.4
[M+Na-2H]- 461.16354 206.7
[M]+ 440.18832 206.2
[M]- 440.18942 206.2
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.