CID 202516

Sch 3901

Structural Information

Molecular Formula
C12H19N3O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)CN2CCCCC2
InChI
InChI=1S/C12H19N3O3/c1-2-12(8-15-6-4-3-5-7-15)9(16)13-11(18)14-10(12)17/h2-8H2,1H3,(H2,13,14,16,17,18)
InChIKey
SOFUMLGSWXNMKF-UHFFFAOYSA-N
Compound name
5-ethyl-5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14264 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.14992 161.9
[M+Na]+ 276.13186 170.7
[M+NH4]+ 271.17646 168.0
[M+K]+ 292.10580 164.2
[M-H]- 252.13536 161.1
[M+Na-2H]- 274.11731 165.1
[M]+ 253.14209 162.4
[M]- 253.14319 162.4
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.