CID 370358

Nsc643421

Structural Information

Molecular Formula
C33H25N3O
SMILES
C1=CC=C(C=C1)C#CC(=O)NC2=CC=CC=C2CC(C3=CNC4=CC=CC=C43)C5=CNC6=CC=CC=C65
InChI
InChI=1S/C33H25N3O/c37-33(19-18-23-10-2-1-3-11-23)36-30-15-7-4-12-24(30)20-27(28-21-34-31-16-8-5-13-25(28)31)29-22-35-32-17-9-6-14-26(29)32/h1-17,21-22,27,34-35H,20H2,(H,36,37)
InChIKey
GPUBFXAMLNUTNX-UHFFFAOYSA-N
Compound name
N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]-3-phenylprop-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.19977 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.20705 228.1
[M+Na]+ 502.18899 237.0
[M-H]- 478.19249 232.5
[M+NH4]+ 497.23359 233.7
[M+K]+ 518.16293 220.8
[M+H-H2O]+ 462.19703 210.8
[M+HCOO]- 524.19797 239.2
[M+CH3COO]- 538.21362 231.9
[M+Na-2H]- 500.17444 224.9
[M]+ 479.19922 220.3
[M]- 479.20032 220.3
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.