CID 57296

Brn 0241720

Structural Information

Molecular Formula
C11H18N4O3
SMILES
CC1=C(C(=O)N(C(=O)N1C)C)NC(=O)CN(C)C
InChI
InChI=1S/C11H18N4O3/c1-7-9(12-8(16)6-13(2)3)10(17)15(5)11(18)14(7)4/h6H2,1-5H3,(H,12,16)
InChIKey
BEBYZFAJWKKQPG-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1379 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.145176 155.5
[M+Na]+ 277.127118 165.6
[M-H]- 253.130624 159.3
[M+NH4]+ 272.171723 171.0
[M+K]+ 293.101058 164.5
[M+H-H2O]+ 237.135160 147.8
[M+HCOO]- 299.136101 179.5
[M+CH3COO]- 313.151751 206.3
[M+Na-2H]- 275.112566 158.0
[M]+ 254.13735142 160.4
[M]- 254.13844858 160.4
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.