CID 3064443

102128-95-0

Structural Information

Molecular Formula
C12H20N4O3
SMILES
CC1=C(C(=O)N(C(=O)N1C)C)NC(=O)C(C)N(C)C
InChI
InChI=1S/C12H20N4O3/c1-7-9(13-10(17)8(2)14(3)4)11(18)16(6)12(19)15(7)5/h8H,1-6H3,(H,13,17)
InChIKey
CEZKGZOBANTCBU-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.15353 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16081 159.6
[M+Na]+ 291.14275 169.0
[M-H]- 267.14625 163.3
[M+NH4]+ 286.18735 174.5
[M+K]+ 307.11669 168.3
[M+H-H2O]+ 251.15079 151.9
[M+HCOO]- 313.15173 182.3
[M+CH3COO]- 327.16738 210.3
[M+Na-2H]- 289.12820 160.5
[M]+ 268.15298 164.2
[M]- 268.15408 164.2
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.