CID 508420

Schembl6282796

Structural Information

Molecular Formula
C26H32N4O2
SMILES
C1CCN(CC1)C2=CC3=C(C=C2)N(C(=O)C3=O)CCN4CCN(CC4)CC5=CC=CC=C5
InChI
InChI=1S/C26H32N4O2/c31-25-23-19-22(29-11-5-2-6-12-29)9-10-24(23)30(26(25)32)18-17-27-13-15-28(16-14-27)20-21-7-3-1-4-8-21/h1,3-4,7-10,19H,2,5-6,11-18,20H2
InChIKey
LYMFGNADTQJWEY-UHFFFAOYSA-N
Compound name
1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-piperidin-1-ylindole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

432.25253 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.25981 210.8
[M+Na]+ 455.24175 213.1
[M-H]- 431.24525 216.5
[M+NH4]+ 450.28635 215.9
[M+K]+ 471.21569 205.2
[M+H-H2O]+ 415.24979 196.2
[M+HCOO]- 477.25073 218.8
[M+CH3COO]- 491.26638 215.4
[M+Na-2H]- 453.22720 205.5
[M]+ 432.25198 202.9
[M]- 432.25308 202.9
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