CID 14368

Brn 0922038

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)CC#CCN(C)C
InChI
InChI=1S/C12H17N3O3/c1-4-12(7-5-6-8-15(2)3)9(16)13-11(18)14-10(12)17/h4,7-8H2,1-3H3,(H2,13,14,16,17,18)
InChIKey
RAAWOJMVIFFBTA-UHFFFAOYSA-N
Compound name
5-[4-(dimethylamino)but-2-ynyl]-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.127 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.134276 154.5
[M+Na]+ 274.116218 162.7
[M-H]- 250.119724 152.5
[M+NH4]+ 269.160823 168.2
[M+K]+ 290.090158 158.9
[M+H-H2O]+ 234.124260 142.2
[M+HCOO]- 296.125201 165.7
[M+CH3COO]- 310.140851 200.7
[M+Na-2H]- 272.101666 155.7
[M]+ 251.12645142 146.7
[M]- 251.12754858 146.7
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.