CID 25658267

5-[4-(2-chloroacetyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

Structural Information

Molecular Formula
C14H13ClN4O3
SMILES
C1CN(CCN1C2=C(N=C(O2)C3=CC=CO3)C#N)C(=O)CCl
InChI
InChI=1S/C14H13ClN4O3/c15-8-12(20)18-3-5-19(6-4-18)14-10(9-16)17-13(22-14)11-2-1-7-21-11/h1-2,7H,3-6,8H2
InChIKey
YINPRILNQVBYAR-UHFFFAOYSA-N
Compound name
5-[4-(2-chloroacetyl)piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.06763 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07491 166.7
[M+Na]+ 343.05685 177.3
[M-H]- 319.06035 170.9
[M+NH4]+ 338.10145 176.4
[M+K]+ 359.03079 173.0
[M+H-H2O]+ 303.06489 150.1
[M+HCOO]- 365.06583 176.8
[M+CH3COO]- 379.08148 176.0
[M+Na-2H]- 341.04230 166.3
[M]+ 320.06708 164.4
[M]- 320.06818 164.4
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.