CID 148974

62554-14-7

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CCCCOC1=CC=C(C=C1)CN2CC(C(=O)NC2=O)C
InChI
InChI=1S/C16H22N2O3/c1-3-4-9-21-14-7-5-13(6-8-14)11-18-10-12(2)15(19)17-16(18)20/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,19,20)
InChIKey
QLFAROJQYKCGDY-UHFFFAOYSA-N
Compound name
1-[(4-butoxyphenyl)methyl]-5-methyl-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 169.9
[M+Na]+ 313.152278 176.1
[M-H]- 289.155784 171.9
[M+NH4]+ 308.196883 182.1
[M+K]+ 329.126218 171.7
[M+H-H2O]+ 273.160320 160.9
[M+HCOO]- 335.161261 186.0
[M+CH3COO]- 349.176911 201.2
[M+Na-2H]- 311.137726 170.6
[M]+ 290.16251142 169.0
[M]- 290.16360858 169.0
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.