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 169.8
[M+Na]+ 313.15228 175.1
[M-H]- 289.15578 171.4
[M+NH4]+ 308.19688 181.7
[M+K]+ 329.12622 170.6
[M+H-H2O]+ 273.16032 160.5
[M+HCOO]- 335.16126 185.9
[M+CH3COO]- 349.17691 199.9
[M+Na-2H]- 311.13773 171.3
[M]+ 290.16251 168.5
[M]- 290.16361 168.5
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.