CID 74464

2,4,6(1h,3h,5h)-pyrimidinetrione, 5-[[4-(dimethylamino)phenyl]methylene]-

Structural Information

Molecular Formula
C13H13N3O3
SMILES
CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C13H13N3O3/c1-16(2)9-5-3-8(4-6-9)7-10-11(17)14-13(19)15-12(10)18/h3-7H,1-2H3,(H2,14,15,17,18,19)
InChIKey
NAPLVLRBYHFCJP-UHFFFAOYSA-N
Compound name
5-[[4-(dimethylamino)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

69
Patents

259.0957 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10298 158.3
[M+Na]+ 282.08492 165.5
[M-H]- 258.08842 161.1
[M+NH4]+ 277.12952 171.4
[M+K]+ 298.05886 161.0
[M+H-H2O]+ 242.09296 150.0
[M+HCOO]- 304.09390 176.0
[M+CH3COO]- 318.10955 196.1
[M+Na-2H]- 280.07037 160.0
[M]+ 259.09515 153.6
[M]- 259.09625 153.6
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

patents stripe