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]+ 291.170336 169.7
[M+Na]+ 313.152278 174.8
[M-H]- 289.155784 171.4
[M+NH4]+ 308.196883 181.6
[M+K]+ 329.126218 170.8
[M+H-H2O]+ 273.160320 160.6
[M+HCOO]- 335.161261 184.9
[M+CH3COO]- 349.176911 200.8
[M+Na-2H]- 311.137726 170.0
[M]+ 290.16251142 167.8
[M]- 290.16360858 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.