CID 3066986

1-piperazinecarboxamide, n-((dimethylamino)carbonyl)-4-(2-hydroxyethyl)-n-methyl-, monohydrochloride

Structural Information

Molecular Formula
C11H22N4O3
SMILES
CN(C)C(=O)N(C)C(=O)N1CCN(CC1)CCO
InChI
InChI=1S/C11H22N4O3/c1-12(2)10(17)13(3)11(18)15-6-4-14(5-7-15)8-9-16/h16H,4-9H2,1-3H3
InChIKey
XBUNSPQKSNKDSO-UHFFFAOYSA-N
Compound name
N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

258.1692 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.17648 161.6
[M+Na]+ 281.15842 164.5
[M-H]- 257.16192 163.0
[M+NH4]+ 276.20302 175.6
[M+K]+ 297.13236 165.8
[M+H-H2O]+ 241.16646 153.2
[M+HCOO]- 303.16740 179.3
[M+CH3COO]- 317.18305 202.9
[M+Na-2H]- 279.14387 161.8
[M]+ 258.16865 159.9
[M]- 258.16975 159.9
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

patents stripe