CID 148972

62554-12-5

Structural Information

Molecular Formula
C15H20N2O3
SMILES
CCCOC1=CC=C(C=C1)CN2CC(C(=O)NC2=O)C
InChI
InChI=1S/C15H20N2O3/c1-3-8-20-13-6-4-12(5-7-13)10-17-9-11(2)14(18)16-15(17)19/h4-7,11H,3,8-10H2,1-2H3,(H,16,18,19)
InChIKey
FUOJSAGKFGAMRV-UHFFFAOYSA-N
Compound name
5-methyl-1-[(4-propoxyphenyl)methyl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1474 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15468 165.4
[M+Na]+ 299.13662 172.2
[M-H]- 275.14012 167.6
[M+NH4]+ 294.18122 178.3
[M+K]+ 315.11056 167.9
[M+H-H2O]+ 259.14466 156.7
[M+HCOO]- 321.14560 181.9
[M+CH3COO]- 335.16125 198.2
[M+Na-2H]- 297.12207 166.7
[M]+ 276.14685 164.2
[M]- 276.14795 164.2
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.