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

12
Patents

425.21033 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.217606 207.6
[M+Na]+ 448.199548 212.6
[M-H]- 424.203054 215.9
[M+NH4]+ 443.244153 214.8
[M+K]+ 464.173488 204.2
[M+H-H2O]+ 408.207590 193.9
[M+HCOO]- 470.208531 221.0
[M+CH3COO]- 484.224181 214.4
[M+Na-2H]- 446.184996 205.1
[M]+ 425.20978142 203.8
[M]- 425.21087858 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