CID 20833804

Brn 5570683

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CC(C)COC1=CC=C(C=C1)CCN2CCC(=O)NC2=O
InChI
InChI=1S/C16H22N2O3/c1-12(2)11-21-14-5-3-13(4-6-14)7-9-18-10-8-15(19)17-16(18)20/h3-6,12H,7-11H2,1-2H3,(H,17,19,20)
InChIKey
QXNYZGXMALKBTD-UHFFFAOYSA-N
Compound name
1-[2-[4-(2-methylpropoxy)phenyl]ethyl]-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

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 169.7
[M+Na]+ 313.15228 174.8
[M-H]- 289.15578 171.4
[M+NH4]+ 308.19688 181.6
[M+K]+ 329.12622 170.8
[M+H-H2O]+ 273.16032 160.6
[M+HCOO]- 335.16126 184.9
[M+CH3COO]- 349.17691 200.8
[M+Na-2H]- 311.13773 170.0
[M]+ 290.16251 167.8
[M]- 290.16361 167.8
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.