CID 506411

1-(4-benzoylpiperazin-1-yl)-2-(1-prop-2-ynylindol-3-yl)ethane-1,2-dione

Structural Information

Molecular Formula
C24H21N3O3
SMILES
C#CCN1C=C(C2=CC=CC=C21)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H21N3O3/c1-2-12-27-17-20(19-10-6-7-11-21(19)27)22(28)24(30)26-15-13-25(14-16-26)23(29)18-8-4-3-5-9-18/h1,3-11,17H,12-16H2
InChIKey
VUNARAFKIQBFSF-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(1-prop-2-ynylindol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

399.1583 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16558 199.1
[M+Na]+ 422.14752 206.7
[M-H]- 398.15102 200.9
[M+NH4]+ 417.19212 205.5
[M+K]+ 438.12146 196.8
[M+H-H2O]+ 382.15556 181.2
[M+HCOO]- 444.15650 207.1
[M+CH3COO]- 458.17215 204.4
[M+Na-2H]- 420.13297 195.2
[M]+ 399.15775 191.3
[M]- 399.15885 191.3
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

patents stripe