CID 48438

Brn 0323832

Structural Information

Molecular Formula
C17H22N2O4
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CCC2=CC(=CC=C2)OC)CC
InChI
InChI=1S/C17H22N2O4/c1-4-17(5-2)14(20)18-16(22)19(15(17)21)10-9-12-7-6-8-13(11-12)23-3/h6-8,11H,4-5,9-10H2,1-3H3,(H,18,20,22)
InChIKey
YCTISSXMLCTXEC-UHFFFAOYSA-N
Compound name
5,5-diethyl-1-[2-(3-methoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.15796 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16524 176.2
[M+Na]+ 341.14718 187.9
[M+NH4]+ 336.19178 182.4
[M+K]+ 357.12112 180.1
[M-H]- 317.15068 176.9
[M+Na-2H]- 339.13263 181.2
[M]+ 318.15741 177.9
[M]- 318.15851 177.9
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.