CID 145713

Hydrouracil, 1-(p-butoxybenzyl)-

Structural Information

Molecular Formula
C15H20N2O3
SMILES
CCCCOC1=CC=C(C=C1)CN2CCC(=O)NC2=O
InChI
InChI=1S/C15H20N2O3/c1-2-3-10-20-13-6-4-12(5-7-13)11-17-9-8-14(18)16-15(17)19/h4-7H,2-3,8-11H2,1H3,(H,16,18,19)
InChIKey
IQNHXTFAPQOGKU-UHFFFAOYSA-N
Compound name
1-[(4-butoxyphenyl)methyl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.1474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.154676 165.4
[M+Na]+ 299.136618 171.2
[M-H]- 275.140124 167.2
[M+NH4]+ 294.181223 177.9
[M+K]+ 315.110558 166.9
[M+H-H2O]+ 259.144660 156.3
[M+HCOO]- 321.145601 181.9
[M+CH3COO]- 335.161251 196.9
[M+Na-2H]- 297.122066 167.4
[M]+ 276.14685142 163.7
[M]- 276.14794858 163.7
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

patents stripe