CID 3066970

80712-44-3

Structural Information

Molecular Formula
C13H20N6O2
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=NC=CC=N2
InChI
InChI=1S/C13H20N6O2/c1-16(2)12(20)17(3)13(21)19-9-7-18(8-10-19)11-14-5-4-6-15-11/h4-6H,7-10H2,1-3H3
InChIKey
REVJBTTXZRPEHF-UHFFFAOYSA-N
Compound name
N-(dimethylcarbamoyl)-N-methyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.16476 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17204 165.7
[M+Na]+ 315.15398 174.7
[M+NH4]+ 310.19858 170.4
[M+K]+ 331.12792 171.7
[M-H]- 291.15748 167.0
[M+Na-2H]- 313.13943 171.2
[M]+ 292.16421 166.8
[M]- 292.16531 166.8
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.