CID 214856

34486-69-6

Structural Information

Molecular Formula
C17H22N2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C(C)CC2=CC=CC=C2)CC
InChI
InChI=1S/C17H22N2O3/c1-4-17(5-2)14(20)18-16(22)19(15(17)21)12(3)11-13-9-7-6-8-10-13/h6-10,12H,4-5,11H2,1-3H3,(H,18,20,22)
InChIKey
KHUUSSKUJNDZMB-UHFFFAOYSA-N
Compound name
5,5-diethyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.16306 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.170336 171.1
[M+Na]+ 325.152278 177.9
[M-H]- 301.155784 173.4
[M+NH4]+ 320.196883 184.8
[M+K]+ 341.126218 173.7
[M+H-H2O]+ 285.160320 163.1
[M+HCOO]- 347.161261 186.1
[M+CH3COO]- 361.176911 203.8
[M+Na-2H]- 323.137726 171.6
[M]+ 302.16251142 169.7
[M]- 302.16360858 169.7
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.