CID 31694

Imet 176-68

Structural Information

Molecular Formula
C24H34N4O3
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)CN2CCCCC2)CN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C24H34N4O3/c1-2-24(20-12-6-3-7-13-20)21(29)27(18-25-14-8-4-9-15-25)23(31)28(22(24)30)19-26-16-10-5-11-17-26/h3,6-7,12-13H,2,4-5,8-11,14-19H2,1H3
InChIKey
JDPUAECPKWLADB-UHFFFAOYSA-N
Compound name
5-ethyl-5-phenyl-1,3-bis(piperidin-1-ylmethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.2631 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.27038 210.6
[M+Na]+ 449.25232 212.0
[M-H]- 425.25582 214.9
[M+NH4]+ 444.29692 215.2
[M+K]+ 465.22626 206.0
[M+H-H2O]+ 409.26036 195.9
[M+HCOO]- 471.26130 216.4
[M+CH3COO]- 485.27695 227.5
[M+Na-2H]- 447.23777 206.2
[M]+ 426.26255 201.0
[M]- 426.26365 201.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.