CID 48440

Brn 0284306

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OC)CC
InChI
InChI=1S/C15H18N2O4/c1-4-15(5-2)12(18)16-14(20)17(13(15)19)10-6-8-11(21-3)9-7-10/h6-9H,4-5H2,1-3H3,(H,16,18,20)
InChIKey
RRCRLJRUZSDIFQ-UHFFFAOYSA-N
Compound name
5,5-diethyl-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.12665 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 164.9
[M+Na]+ 313.11587 173.7
[M-H]- 289.11937 168.0
[M+NH4]+ 308.16047 179.4
[M+K]+ 329.08981 170.0
[M+H-H2O]+ 273.12391 157.2
[M+HCOO]- 335.12485 181.9
[M+CH3COO]- 349.14050 200.5
[M+Na-2H]- 311.10132 167.1
[M]+ 290.12610 165.3
[M]- 290.12720 165.3
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

No patent data available for this compound.