CID 508419

Schembl6285428

Structural Information

Molecular Formula
C26H31N3O2
SMILES
C1CCC(C1)C2=C3C(=CC=C2)C(=O)C(=O)N3CCN4CCN(CC4)CC5=CC=CC=C5
InChI
InChI=1S/C26H31N3O2/c30-25-23-12-6-11-22(21-9-4-5-10-21)24(23)29(26(25)31)18-17-27-13-15-28(16-14-27)19-20-7-2-1-3-8-20/h1-3,6-8,11-12,21H,4-5,9-10,13-19H2
InChIKey
FOEBGLTZGPBDTC-UHFFFAOYSA-N
Compound name
1-[2-(4-benzylpiperazin-1-yl)ethyl]-7-cyclopentylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

417.24164 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.24892 205.3
[M+Na]+ 440.23086 208.6
[M-H]- 416.23436 213.5
[M+NH4]+ 435.27546 214.8
[M+K]+ 456.20480 201.4
[M+H-H2O]+ 400.23890 193.2
[M+HCOO]- 462.23984 217.3
[M+CH3COO]- 476.25549 211.9
[M+Na-2H]- 438.21631 198.2
[M]+ 417.24109 199.6
[M]- 417.24219 199.6
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