CID 88960

Brn 0706420

Structural Information

Molecular Formula
C20H28N4O2
SMILES
C1CCC2(CC1)C(=O)N(C(=O)N2)CN3CCN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C20H28N4O2/c25-18-20(9-5-2-6-10-20)21-19(26)24(18)16-23-13-11-22(12-14-23)15-17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2,(H,21,26)
InChIKey
DKOQHSBLALDZIQ-UHFFFAOYSA-N
Compound name
3-[(4-benzylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.22122 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.22850 190.9
[M+Na]+ 379.21044 193.4
[M-H]- 355.21394 193.8
[M+NH4]+ 374.25504 200.1
[M+K]+ 395.18438 187.1
[M+H-H2O]+ 339.21848 178.1
[M+HCOO]- 401.21942 198.8
[M+CH3COO]- 415.23507 196.5
[M+Na-2H]- 377.19589 187.9
[M]+ 356.22067 179.8
[M]- 356.22177 179.8
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

No patent data available for this compound.