CID 165440400

Methyl 4-cyano-5-(piperazin-1-yl)-1,3-oxazole-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H12N4O3
SMILES
COC(=O)C1=NC(=C(O1)N2CCNCC2)C#N
InChI
InChI=1S/C10H12N4O3/c1-16-10(15)8-13-7(6-11)9(17-8)14-4-2-12-3-5-14/h12H,2-5H2,1H3
InChIKey
KXEGLHLNZOFCKU-UHFFFAOYSA-N
Compound name
methyl 4-cyano-5-piperazin-1-yl-1,3-oxazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09094 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09822 154.4
[M+Na]+ 259.08016 163.8
[M+NH4]+ 254.12476 156.4
[M+K]+ 275.05410 158.7
[M-H]- 235.08366 147.8
[M+Na-2H]- 257.06561 155.0
[M]+ 236.09039 152.6
[M]- 236.09149 152.6
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.