CID 99310

Uracil, 6-(p-butylanilino)-

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CCCCC1=CC=C(C=C1)NC2=CC(=O)NC(=O)N2
InChI
InChI=1S/C14H17N3O2/c1-2-3-4-10-5-7-11(8-6-10)15-12-9-13(18)17-14(19)16-12/h5-9H,2-4H2,1H3,(H3,15,16,17,18,19)
InChIKey
XIKQUZTWHPFJKG-UHFFFAOYSA-N
Compound name
6-(4-butylanilino)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

259.13208 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 159.1
[M+Na]+ 282.12130 167.2
[M-H]- 258.12480 160.8
[M+NH4]+ 277.16590 171.6
[M+K]+ 298.09524 160.8
[M+H-H2O]+ 242.12934 150.3
[M+HCOO]- 304.13028 179.5
[M+CH3COO]- 318.14593 193.6
[M+Na-2H]- 280.10675 164.5
[M]+ 259.13153 157.3
[M]- 259.13263 157.3
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.