CID 3041144

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

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CC1=C(C(=O)N(C(=O)N1C)C2=CC=CC=C2)CN(C)C
InChI
InChI=1S/C15H19N3O2/c1-11-13(10-16(2)3)14(19)18(15(20)17(11)4)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3
InChIKey
MSGSJLNHOOKEDC-UHFFFAOYSA-N
Compound name
5-[(dimethylamino)methyl]-1,6-dimethyl-3-phenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.14774 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.155016 161.9
[M+Na]+ 296.136958 172.5
[M-H]- 272.140464 168.6
[M+NH4]+ 291.181563 176.7
[M+K]+ 312.110898 169.2
[M+H-H2O]+ 256.145000 152.8
[M+HCOO]- 318.145941 185.6
[M+CH3COO]- 332.161591 207.2
[M+Na-2H]- 294.122406 165.6
[M]+ 273.14719142 166.4
[M]- 273.14828858 166.4
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.