CID 370359

Nsc643422

Structural Information

Molecular Formula
C28H23N3O
SMILES
CC#CC(=O)NC1=CC=CC=C1CC(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C28H23N3O/c1-2-9-28(32)31-25-13-6-3-10-19(25)16-22(23-17-29-26-14-7-4-11-20(23)26)24-18-30-27-15-8-5-12-21(24)27/h3-8,10-15,17-18,22,29-30H,16H2,1H3,(H,31,32)
InChIKey
GYZQEZMLGAYNIU-UHFFFAOYSA-N
Compound name
N-[2-[2,2-bis(1H-indol-3-yl)ethyl]phenyl]but-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.1841 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.19138 212.8
[M+Na]+ 440.17332 222.5
[M-H]- 416.17682 215.4
[M+NH4]+ 435.21792 221.5
[M+K]+ 456.14726 208.2
[M+H-H2O]+ 400.18136 196.6
[M+HCOO]- 462.18230 224.8
[M+CH3COO]- 476.19795 218.1
[M+Na-2H]- 438.15877 210.4
[M]+ 417.18355 206.2
[M]- 417.18465 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.