CID 48420

Brn 0237968

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)CC=C2CCCC2
InChI
InChI=1S/C13H18N2O3/c1-2-13(8-7-9-5-3-4-6-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)
InChIKey
VNMCRIWBNUKHNK-UHFFFAOYSA-N
Compound name
5-(2-cyclopentylideneethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 161.3
[M+Na]+ 273.12096 169.1
[M+NH4]+ 268.16556 167.7
[M+K]+ 289.09490 164.1
[M-H]- 249.12446 160.3
[M+Na-2H]- 271.10641 163.7
[M]+ 250.13119 161.6
[M]- 250.13229 161.6
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.