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]+ 253.165906 161.0
[M+Na]+ 275.147848 167.3
[M-H]- 251.151354 164.1
[M+NH4]+ 270.192453 174.3
[M+K]+ 291.121788 166.0
[M+H-H2O]+ 235.155890 151.9
[M+HCOO]- 297.156831 178.2
[M+CH3COO]- 311.172481 197.1
[M+Na-2H]- 273.133296 162.1
[M]+ 252.15808142 159.9
[M]- 252.15917858 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.