CID 49375

67114-27-6

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CC(C)CC1(C(=O)NC(=O)NC1=O)CCC2=CC=CC=C2
InChI
InChI=1S/C16H20N2O3/c1-11(2)10-16(9-8-12-6-4-3-5-7-12)13(19)17-15(21)18-14(16)20/h3-7,11H,8-10H2,1-2H3,(H2,17,18,19,20,21)
InChIKey
BOQNFQYZITZXDP-UHFFFAOYSA-N
Compound name
5-(2-methylpropyl)-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

288.1474 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 168.3
[M+Na]+ 311.13662 174.3
[M-H]- 287.14012 169.1
[M+NH4]+ 306.18122 181.6
[M+K]+ 327.11056 169.3
[M+H-H2O]+ 271.14466 160.5
[M+HCOO]- 333.14560 182.2
[M+CH3COO]- 347.16125 197.2
[M+Na-2H]- 309.12207 169.5
[M]+ 288.14685 164.3
[M]- 288.14795 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.