CID 207448

Brn 0816034

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CCCN1C(=O)CCN(C1=O)OCC2=CC(=C(C=C2)C)C
InChI
InChI=1S/C16H22N2O3/c1-4-8-17-15(19)7-9-18(16(17)20)21-11-14-6-5-12(2)13(3)10-14/h5-6,10H,4,7-9,11H2,1-3H3
InChIKey
PLPBZWWJQDGCAO-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethylphenyl)methoxy]-3-propyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.16306 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 168.9
[M+Na]+ 313.15228 176.6
[M-H]- 289.15578 172.7
[M+NH4]+ 308.19688 182.2
[M+K]+ 329.12622 173.1
[M+H-H2O]+ 273.16032 159.9
[M+HCOO]- 335.16126 186.6
[M+CH3COO]- 349.17691 204.9
[M+Na-2H]- 311.13773 169.5
[M]+ 290.16251 170.3
[M]- 290.16361 170.3
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.