CID 3041140

Uracil, 3,6-dimethyl-5-(morpholinomethyl)-1-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C17H21N3O3
SMILES
CC1=C(C(=O)N(C(=O)N1C2=CC=CC=C2)C)CN3CCOCC3
InChI
InChI=1S/C17H21N3O3/c1-13-15(12-19-8-10-23-11-9-19)16(21)18(2)17(22)20(13)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3
InChIKey
BWVDQAHFIVIDLL-UHFFFAOYSA-N
Compound name
3,6-dimethyl-5-(morpholin-4-ylmethyl)-1-phenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1583 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16558 174.7
[M+Na]+ 338.14752 190.4
[M+NH4]+ 333.19212 180.9
[M+K]+ 354.12146 183.5
[M-H]- 314.15102 180.0
[M+Na-2H]- 336.13297 182.2
[M]+ 315.15775 178.4
[M]- 315.15885 178.4
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.