CID 206224

43164-06-3

Structural Information

Molecular Formula
C18H24N2O4
SMILES
CCCCOCN1C(=O)C(C(=O)N(C1=O)C)(CC)C2=CC=CC=C2
InChI
InChI=1S/C18H24N2O4/c1-4-6-12-24-13-20-16(22)18(5-2,14-10-8-7-9-11-14)15(21)19(3)17(20)23/h7-11H,4-6,12-13H2,1-3H3
InChIKey
KCEDWXGLFSTNKM-UHFFFAOYSA-N
Compound name
1-(butoxymethyl)-5-ethyl-3-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1736 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18088 177.0
[M+Na]+ 355.16282 184.9
[M-H]- 331.16632 180.8
[M+NH4]+ 350.20742 190.5
[M+K]+ 371.13676 181.4
[M+H-H2O]+ 315.17086 168.3
[M+HCOO]- 377.17180 194.4
[M+CH3COO]- 391.18745 211.8
[M+Na-2H]- 353.14827 178.1
[M]+ 332.17305 180.3
[M]- 332.17415 180.3
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

patents stripe