CID 57938

100531-83-7

Structural Information

Molecular Formula
C13H22N4O3
SMILES
CCC(C(=O)NC1=C(N(C(=O)N(C1=O)C)C)C)N(C)C
InChI
InChI=1S/C13H22N4O3/c1-7-9(15(3)4)11(18)14-10-8(2)16(5)13(20)17(6)12(10)19/h9H,7H2,1-6H3,(H,14,18)
InChIKey
PSESLFPFKVGDRB-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1692 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.176476 164.2
[M+Na]+ 305.158418 173.2
[M-H]- 281.161924 167.7
[M+NH4]+ 300.203023 178.5
[M+K]+ 321.132358 172.2
[M+H-H2O]+ 265.166460 156.3
[M+HCOO]- 327.167401 186.6
[M+CH3COO]- 341.183051 213.3
[M+Na-2H]- 303.143866 164.6
[M]+ 282.16865142 169.2
[M]- 282.16974858 169.2
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.