CID 3054779

71765-56-5

Structural Information

Molecular Formula
C20H19N3O2
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C20H19N3O2/c24-19(17-14-21-18-9-5-4-8-16(17)18)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14,21H,10-13H2
InChIKey
DHSZCAQWNANREP-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

333.14774 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 178.6
[M+Na]+ 356.13696 184.0
[M-H]- 332.14046 183.3
[M+NH4]+ 351.18156 189.1
[M+K]+ 372.11090 177.6
[M+H-H2O]+ 316.14500 167.7
[M+HCOO]- 378.14594 193.0
[M+CH3COO]- 392.16159 187.1
[M+Na-2H]- 354.12241 179.7
[M]+ 333.14719 174.2
[M]- 333.14829 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.