CID 613439

28239-48-7

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CN1C(=O)C(C(=O)N(C1=O)C)(CC=C)C2CCC=C2
InChI
InChI=1S/C14H18N2O3/c1-4-9-14(10-7-5-6-8-10)11(17)15(2)13(19)16(3)12(14)18/h4-5,7,10H,1,6,8-9H2,2-3H3
InChIKey
RCGYTZIVXOJJRI-UHFFFAOYSA-N
Compound name
5-cyclopent-2-en-1-yl-1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 157.2
[M+Na]+ 285.120958 166.2
[M-H]- 261.124464 161.5
[M+NH4]+ 280.165563 175.5
[M+K]+ 301.094898 162.6
[M+H-H2O]+ 245.129000 150.7
[M+HCOO]- 307.129941 175.4
[M+CH3COO]- 321.145591 197.1
[M+Na-2H]- 283.106406 157.0
[M]+ 262.13119142 156.3
[M]- 262.13228858 156.3
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.