CID 3042217

1-piperazineacetamide, n-(1,3-dioxo-2-ethyl-2-indanyl)-n-methyl-4-phenyl-

Structural Information

Molecular Formula
C24H27N3O3
SMILES
CCC1(C(=O)C2=CC=CC=C2C1=O)N(C)C(=O)CN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C24H27N3O3/c1-3-24(22(29)19-11-7-8-12-20(19)23(24)30)25(2)21(28)17-26-13-15-27(16-14-26)18-9-5-4-6-10-18/h4-12H,3,13-17H2,1-2H3
InChIKey
NSTRFEYHVKQMKR-UHFFFAOYSA-N
Compound name
N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.20523 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.21251 198.7
[M+Na]+ 428.19445 203.3
[M-H]- 404.19795 207.0
[M+NH4]+ 423.23905 210.9
[M+K]+ 444.16839 198.8
[M+H-H2O]+ 388.20249 187.8
[M+HCOO]- 450.20343 214.6
[M+CH3COO]- 464.21908 228.6
[M+Na-2H]- 426.17990 197.2
[M]+ 405.20468 197.1
[M]- 405.20578 197.1
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.