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

4
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

patents stripe