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]+ 283.17648 164.2
[M+Na]+ 305.15842 173.2
[M-H]- 281.16192 167.7
[M+NH4]+ 300.20302 178.5
[M+K]+ 321.13236 172.2
[M+H-H2O]+ 265.16646 156.3
[M+HCOO]- 327.16740 186.6
[M+CH3COO]- 341.18305 213.3
[M+Na-2H]- 303.14387 164.6
[M]+ 282.16865 169.2
[M]- 282.16975 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.