CID 508418

Schembl6285415

Structural Information

Molecular Formula
C27H27N3O2
SMILES
C1CN(CCN1CCN2C3=C(C=C(C=C3)C4=CC=CC=C4)C(=O)C2=O)CC5=CC=CC=C5
InChI
InChI=1S/C27H27N3O2/c31-26-24-19-23(22-9-5-2-6-10-22)11-12-25(24)30(27(26)32)18-17-28-13-15-29(16-14-28)20-21-7-3-1-4-8-21/h1-12,19H,13-18,20H2
InChIKey
IHGVCDFVQAKCCY-UHFFFAOYSA-N
Compound name
1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-phenylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

425.21033 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.21761 207.6
[M+Na]+ 448.19955 212.6
[M-H]- 424.20305 215.9
[M+NH4]+ 443.24415 214.8
[M+K]+ 464.17349 204.2
[M+H-H2O]+ 408.20759 193.9
[M+HCOO]- 470.20853 221.0
[M+CH3COO]- 484.22418 214.4
[M+Na-2H]- 446.18500 205.1
[M]+ 425.20978 203.8
[M]- 425.21088 203.8
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