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

0
Patents

276.1474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15468 165.4
[M+Na]+ 299.13662 171.2
[M-H]- 275.14012 167.2
[M+NH4]+ 294.18122 177.9
[M+K]+ 315.11056 166.9
[M+H-H2O]+ 259.14466 156.3
[M+HCOO]- 321.14560 181.9
[M+CH3COO]- 335.16125 196.9
[M+Na-2H]- 297.12207 167.4
[M]+ 276.14685 163.7
[M]- 276.14795 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