CID 206375

Brn 0676911

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CN1C(=O)C2=C(CCC2)N(C1=O)CC(=O)N(C)C
InChI
InChI=1S/C12H17N3O3/c1-13(2)10(16)7-15-9-6-4-5-8(9)11(17)14(3)12(15)18/h4-7H2,1-3H3
InChIKey
WDFJBTXRDRIIGW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(3-methyl-2,4-dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.127 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13428 153.9
[M+Na]+ 274.11622 163.6
[M-H]- 250.11972 158.0
[M+NH4]+ 269.16082 172.2
[M+K]+ 290.09016 162.0
[M+H-H2O]+ 234.12426 146.8
[M+HCOO]- 296.12520 175.7
[M+CH3COO]- 310.14085 200.6
[M+Na-2H]- 272.10167 156.1
[M]+ 251.12645 157.6
[M]- 251.12755 157.6
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.