CID 3053724

1-piperazineacetamide, n-(3,4-dimethyl-5-isoxazolyl)-4-methyl-, monohydrochloride

Structural Information

Molecular Formula
C12H20N4O2
SMILES
CC1=C(ON=C1C)NC(=O)CN2CCN(CC2)C
InChI
InChI=1S/C12H20N4O2/c1-9-10(2)14-18-12(9)13-11(17)8-16-6-4-15(3)5-7-16/h4-8H2,1-3H3,(H,13,17)
InChIKey
ATSKJFIWESHWMO-UHFFFAOYSA-N
Compound name
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.15863 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16591 161.0
[M+Na]+ 275.14785 167.3
[M-H]- 251.15135 164.1
[M+NH4]+ 270.19245 174.3
[M+K]+ 291.12179 166.0
[M+H-H2O]+ 235.15589 151.9
[M+HCOO]- 297.15683 178.2
[M+CH3COO]- 311.17248 197.1
[M+Na-2H]- 273.13330 162.1
[M]+ 252.15808 159.9
[M]- 252.15918 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

No patent data available for this compound.