CID 49180

67050-28-6

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CCCCC1(C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)CC
InChI
InChI=1S/C16H20N2O3/c1-3-5-11-16(4-2)13(19)17-15(21)18(14(16)20)12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3,(H,17,19,21)
InChIKey
ZGHDFVVXOYKDBZ-UHFFFAOYSA-N
Compound name
5-butyl-5-ethyl-1-phenyl-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

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.154676 167.2
[M+Na]+ 311.136618 174.8
[M-H]- 287.140124 169.6
[M+NH4]+ 306.181223 181.5
[M+K]+ 327.110558 170.1
[M+H-H2O]+ 271.144660 159.1
[M+HCOO]- 333.145601 183.6
[M+CH3COO]- 347.161251 199.9
[M+Na-2H]- 309.122066 169.3
[M]+ 288.14685142 166.0
[M]- 288.14794858 166.0
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.