CID 49167

67050-17-3

Structural Information

Molecular Formula
C12H20N2O4
SMILES
CCCCOC(C)C1(C(=O)NC(=O)NC1=O)CC
InChI
InChI=1S/C12H20N2O4/c1-4-6-7-18-8(3)12(5-2)9(15)13-11(17)14-10(12)16/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKey
NPGUJUOASOFKLH-UHFFFAOYSA-N
Compound name
5-(1-butoxyethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.1423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.149576 158.3
[M+Na]+ 279.131518 164.6
[M-H]- 255.135024 156.0
[M+NH4]+ 274.176123 173.3
[M+K]+ 295.105458 161.9
[M+H-H2O]+ 239.139560 152.4
[M+HCOO]- 301.140501 172.3
[M+CH3COO]- 315.156151 191.6
[M+Na-2H]- 277.116966 159.3
[M]+ 256.14175142 157.0
[M]- 256.14284858 157.0
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

No patent data available for this compound.