CID 4613406

114792-05-1

Structural Information

Molecular Formula
C27H25N3O2
SMILES
CC(=O)C1C=CN(C=C1C(C)(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54)C(=O)C
InChI
InChI=1S/C27H25N3O2/c1-17(31)19-12-13-30(18(2)32)16-24(19)27(3,22-14-28-25-10-6-4-8-20(22)25)23-15-29-26-11-7-5-9-21(23)26/h4-16,19,28-29H,1-3H3
InChIKey
XEYPGIJQQNAGKY-UHFFFAOYSA-N
Compound name
1-[1-acetyl-3-[1,1-bis(1H-indol-3-yl)ethyl]-4H-pyridin-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.19467 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.20195 205.4
[M+Na]+ 446.18389 213.2
[M-H]- 422.18739 211.9
[M+NH4]+ 441.22849 215.2
[M+K]+ 462.15783 205.1
[M+H-H2O]+ 406.19193 196.2
[M+HCOO]- 468.19287 218.9
[M+CH3COO]- 482.20852 213.4
[M+Na-2H]- 444.16934 204.8
[M]+ 423.19412 206.0
[M]- 423.19522 206.0
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.