CID 3053722

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

Structural Information

Molecular Formula
C11H18N4O2
SMILES
CC1=C(ON=C1C)N2CCN(CC2)CC(=O)N
InChI
InChI=1S/C11H18N4O2/c1-8-9(2)13-17-11(8)15-5-3-14(4-6-15)7-10(12)16/h3-7H2,1-2H3,(H2,12,16)
InChIKey
WQZOYTZSSPUAMO-UHFFFAOYSA-N
Compound name
2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.14297 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.150246 156.7
[M+Na]+ 261.132188 163.3
[M-H]- 237.135694 159.4
[M+NH4]+ 256.176793 170.2
[M+K]+ 277.106128 161.9
[M+H-H2O]+ 221.140230 147.7
[M+HCOO]- 283.141171 173.5
[M+CH3COO]- 297.156821 194.2
[M+Na-2H]- 259.117636 157.3
[M]+ 238.14242142 154.3
[M]- 238.14351858 154.3
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.