CID 208323

31992-01-5

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CC1=C(C(=O)NC(=O)N1C2=CC=CC=C2)N(C)C
InChI
InChI=1S/C13H15N3O2/c1-9-11(15(2)3)12(17)14-13(18)16(9)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,14,17,18)
InChIKey
XAMZAUGUBOIFKY-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-6-methyl-1-phenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

245.11642 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 153.7
[M+Na]+ 268.10564 163.8
[M-H]- 244.10914 158.9
[M+NH4]+ 263.15024 168.5
[M+K]+ 284.07958 160.0
[M+H-H2O]+ 228.11368 145.0
[M+HCOO]- 290.11462 176.5
[M+CH3COO]- 304.13027 197.5
[M+Na-2H]- 266.09109 158.7
[M]+ 245.11587 155.2
[M]- 245.11697 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.