CID 3025413

102613-19-4

Structural Information

Molecular Formula
C12H21N3O2
SMILES
CCCCN1C(=C(C(=O)N(C1=O)C)N(C)C)C
InChI
InChI=1S/C12H21N3O2/c1-6-7-8-15-9(2)10(13(3)4)11(16)14(5)12(15)17/h6-8H2,1-5H3
InChIKey
MWLGWFZXQAMCOB-UHFFFAOYSA-N
Compound name
1-butyl-5-(dimethylamino)-3,6-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.16338 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.17066 153.2
[M+Na]+ 262.15260 163.9
[M-H]- 238.15610 156.7
[M+NH4]+ 257.19720 169.9
[M+K]+ 278.12654 162.1
[M+H-H2O]+ 222.16064 145.7
[M+HCOO]- 284.16158 176.5
[M+CH3COO]- 298.17723 202.6
[M+Na-2H]- 260.13805 156.0
[M]+ 239.16283 159.2
[M]- 239.16393 159.2
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.