CID 3041132

Uracil, 5-((dimethylamino)methyl)-3-methyl-1-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CN1C(=O)C(=CN(C1=O)C2=CC=CC=C2)CN(C)C
InChI
InChI=1S/C14H17N3O2/c1-15(2)9-11-10-17(12-7-5-4-6-8-12)14(19)16(3)13(11)18/h4-8,10H,9H2,1-3H3
InChIKey
HOEBQYBHQPNHGT-UHFFFAOYSA-N
Compound name
5-[(dimethylamino)methyl]-3-methyl-1-phenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.139356 157.6
[M+Na]+ 282.121298 167.7
[M-H]- 258.124804 164.0
[M+NH4]+ 277.165903 172.6
[M+K]+ 298.095238 164.5
[M+H-H2O]+ 242.129340 148.4
[M+HCOO]- 304.130281 181.6
[M+CH3COO]- 318.145931 203.0
[M+Na-2H]- 280.106746 162.5
[M]+ 259.13153142 161.2
[M]- 259.13262858 161.2
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.