CID 49361

67114-18-5

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)CCCCC2=CC=CC=C2
InChI
InChI=1S/C16H20N2O3/c1-2-16(13(19)17-15(21)18-14(16)20)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,17,18,19,20,21)
InChIKey
VDMXZUJOOZMOLW-UHFFFAOYSA-N
Compound name
5-ethyl-5-(4-phenylbutyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 168.6
[M+Na]+ 311.13662 174.8
[M-H]- 287.14012 169.2
[M+NH4]+ 306.18122 181.9
[M+K]+ 327.11056 169.2
[M+H-H2O]+ 271.14466 160.4
[M+HCOO]- 333.14560 183.4
[M+CH3COO]- 347.16125 196.3
[M+Na-2H]- 309.12207 170.8
[M]+ 288.14685 165.1
[M]- 288.14795 165.1
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.