CID 24845071

Brn 5565076

Structural Information

Molecular Formula
C15H20N2O3
SMILES
CC(C)OC1=CC=C(C=C1)CCN2CCC(=O)NC2=O
InChI
InChI=1S/C15H20N2O3/c1-11(2)20-13-5-3-12(4-6-13)7-9-17-10-8-14(18)16-15(17)19/h3-6,11H,7-10H2,1-2H3,(H,16,18,19)
InChIKey
JAQMRTNXRXJAQH-UHFFFAOYSA-N
Compound name
1-[2-(4-propan-2-yloxyphenyl)ethyl]-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

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15468 165.3
[M+Na]+ 299.13662 170.8
[M-H]- 275.14012 167.2
[M+NH4]+ 294.18122 177.7
[M+K]+ 315.11056 167.0
[M+H-H2O]+ 259.14466 156.4
[M+HCOO]- 321.14560 180.8
[M+CH3COO]- 335.16125 197.8
[M+Na-2H]- 297.12207 166.1
[M]+ 276.14685 163.0
[M]- 276.14795 163.0
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.