CID 47463

64810-92-0

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CN1C(=O)C(C(=O)NC1=O)(CC=C)C2CCC=C2
InChI
InChI=1S/C13H16N2O3/c1-3-8-13(9-6-4-5-7-9)10(16)14-12(18)15(2)11(13)17/h3-4,6,9H,1,5,7-8H2,2H3,(H,14,16,18)
InChIKey
DKYAHYBLNOWIBA-UHFFFAOYSA-N
Compound name
5-cyclopent-2-en-1-yl-1-methyl-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

248.11609 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 155.1
[M+Na]+ 271.10531 163.1
[M-H]- 247.10881 157.8
[M+NH4]+ 266.14991 172.8
[M+K]+ 287.07925 158.9
[M+H-H2O]+ 231.11335 148.5
[M+HCOO]- 293.11429 172.1
[M+CH3COO]- 307.12994 190.4
[M+Na-2H]- 269.09076 155.4
[M]+ 248.11554 151.5
[M]- 248.11664 151.5
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.