CID 52168

73680-95-2

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]+ 301.154676 169.6
[M+Na]+ 323.136618 176.8
[M-H]- 299.140124 172.0
[M+NH4]+ 318.181223 183.4
[M+K]+ 339.110558 171.9
[M+H-H2O]+ 283.144660 161.7
[M+HCOO]- 345.145601 184.9
[M+CH3COO]- 359.161251 203.1
[M+Na-2H]- 321.122066 170.2
[M]+ 300.14685142 167.5
[M]- 300.14794858 167.5
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.