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]+ 269.160806 159.6
[M+Na]+ 291.142748 169.0
[M-H]- 267.146254 163.3
[M+NH4]+ 286.187353 174.5
[M+K]+ 307.116688 168.3
[M+H-H2O]+ 251.150790 151.9
[M+HCOO]- 313.151731 182.3
[M+CH3COO]- 327.167381 210.3
[M+Na-2H]- 289.128196 160.5
[M]+ 268.15298142 164.2
[M]- 268.15407858 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.