CID 508414

1-[2-(4-benzylpiperazin-1-yl)ethyl]-7-cyclohexyl-indoline-2,3-dione

Structural Information

Molecular Formula
C27H33N3O2
SMILES
C1CCC(CC1)C2=C3C(=CC=C2)C(=O)C(=O)N3CCN4CCN(CC4)CC5=CC=CC=C5
InChI
InChI=1S/C27H33N3O2/c31-26-24-13-7-12-23(22-10-5-2-6-11-22)25(24)30(27(26)32)19-18-28-14-16-29(17-15-28)20-21-8-3-1-4-9-21/h1,3-4,7-9,12-13,22H,2,5-6,10-11,14-20H2
InChIKey
PVQJEQNOYAVVKY-UHFFFAOYSA-N
Compound name
1-[2-(4-benzylpiperazin-1-yl)ethyl]-7-cyclohexylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.25726 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.26454 210.4
[M+Na]+ 454.24648 212.4
[M-H]- 430.24998 217.4
[M+NH4]+ 449.29108 217.1
[M+K]+ 470.22042 204.6
[M+H-H2O]+ 414.25452 196.6
[M+HCOO]- 476.25546 219.5
[M+CH3COO]- 490.27111 215.5
[M+Na-2H]- 452.23193 204.8
[M]+ 431.25671 202.4
[M]- 431.25781 202.4
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.