CID 48409

66940-62-3

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CC(C)CC1(C(=O)NC(=O)N(C1=O)C)C2CCC=C2
InChI
InChI=1S/C14H20N2O3/c1-9(2)8-14(10-6-4-5-7-10)11(17)15-13(19)16(3)12(14)18/h4,6,9-10H,5,7-8H2,1-3H3,(H,15,17,19)
InChIKey
XPILFZSKPQJPBZ-UHFFFAOYSA-N
Compound name
5-cyclopent-2-en-1-yl-1-methyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 160.4
[M+Na]+ 287.13662 167.4
[M-H]- 263.14012 163.0
[M+NH4]+ 282.18122 177.5
[M+K]+ 303.11056 164.1
[M+H-H2O]+ 247.14466 153.9
[M+HCOO]- 309.14560 175.8
[M+CH3COO]- 323.16125 195.1
[M+Na-2H]- 285.12207 159.1
[M]+ 264.14685 157.3
[M]- 264.14795 157.3
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.