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 161.6
[M+Na]+ 276.13186 166.5
[M-H]- 252.13536 160.3
[M+NH4]+ 271.17646 174.6
[M+K]+ 292.10580 162.4
[M+H-H2O]+ 236.13990 153.3
[M+HCOO]- 298.14084 172.0
[M+CH3COO]- 312.15649 188.5
[M+Na-2H]- 274.11731 162.7
[M]+ 253.14209 153.0
[M]- 253.14319 153.0
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