CID 52168

Brn 0282920

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CC(C)C1(C(=O)NC(=O)N(C1=O)CC2=CC=CC=C2)CC=C
InChI
InChI=1S/C17H20N2O3/c1-4-10-17(12(2)3)14(20)18-16(22)19(15(17)21)11-13-8-6-5-7-9-13/h4-9,12H,1,10-11H2,2-3H3,(H,18,20,22)
InChIKey
UTBDPHLYKXFUAA-UHFFFAOYSA-N
Compound name
1-benzyl-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15468 172.1
[M+Na]+ 323.13662 183.6
[M+NH4]+ 318.18122 178.5
[M+K]+ 339.11056 175.8
[M-H]- 299.14012 172.8
[M+Na-2H]- 321.12207 177.4
[M]+ 300.14685 173.7
[M]- 300.14795 173.7
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.