CID 56571

93150-57-3

Structural Information

Molecular Formula
C16H21N3O4
SMILES
CCN(CC)C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OCC
InChI
InChI=1S/C16H21N3O4/c1-4-18(5-2)13-14(20)17-16(22)19(15(13)21)11-7-9-12(10-8-11)23-6-3/h7-10,13H,4-6H2,1-3H3,(H,17,20,22)
InChIKey
PQIPVVMTMPIXBZ-UHFFFAOYSA-N
Compound name
5-(diethylamino)-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1532 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16048 175.3
[M+Na]+ 342.14242 185.9
[M+NH4]+ 337.18702 179.9
[M+K]+ 358.11636 181.0
[M-H]- 318.14592 176.5
[M+Na-2H]- 340.12787 178.9
[M]+ 319.15265 176.7
[M]- 319.15375 176.7
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.