CID 211171

22564-13-2

Structural Information

Molecular Formula
C11H17N3O3
SMILES
CC(CC1(C(=O)NC(=O)NC1=O)CC=C)NC
InChI
InChI=1S/C11H17N3O3/c1-4-5-11(6-7(2)12-3)8(15)13-10(17)14-9(11)16/h4,7,12H,1,5-6H2,2-3H3,(H2,13,14,15,16,17)
InChIKey
HXOQBEFVRXSOCN-UHFFFAOYSA-N
Compound name
5-[2-(methylamino)propyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.127 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.134276 154.2
[M+Na]+ 262.116218 160.5
[M-H]- 238.119724 152.1
[M+NH4]+ 257.160823 169.5
[M+K]+ 278.090158 156.7
[M+H-H2O]+ 222.124260 148.3
[M+HCOO]- 284.125201 169.5
[M+CH3COO]- 298.140851 190.8
[M+Na-2H]- 260.101666 156.0
[M]+ 239.12645142 149.5
[M]- 239.12754858 149.5
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.