CID 20833803

88655-21-4

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CCCCOC1=CC=C(C=C1)CCN2CCC(=O)NC2=O
InChI
InChI=1S/C16H22N2O3/c1-2-3-12-21-14-6-4-13(5-7-14)8-10-18-11-9-15(19)17-16(18)20/h4-7H,2-3,8-12H2,1H3,(H,17,19,20)
InChIKey
ASBZNEBJXIMZPC-UHFFFAOYSA-N
Compound name
1-[2-(4-butoxyphenyl)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

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 170.8
[M+Na]+ 313.15228 182.3
[M+NH4]+ 308.19688 176.6
[M+K]+ 329.12622 175.4
[M-H]- 289.15578 172.1
[M+Na-2H]- 311.13773 175.4
[M]+ 290.16251 172.5
[M]- 290.16361 172.5
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.