CID 25625460

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

Structural Information

Molecular Formula
C11H13ClN4O2
SMILES
CC1=NC(=C(O1)N2CCN(CC2)C(=O)CCl)C#N
InChI
InChI=1S/C11H13ClN4O2/c1-8-14-9(7-13)11(18-8)16-4-2-15(3-5-16)10(17)6-12/h2-6H2,1H3
InChIKey
KMZAIUJDKHUTKW-UHFFFAOYSA-N
Compound name
5-[4-(2-chloroacetyl)piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0727 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07998 157.9
[M+Na]+ 291.06192 169.1
[M+NH4]+ 286.10652 160.8
[M+K]+ 307.03586 162.6
[M-H]- 267.06542 152.3
[M+Na-2H]- 289.04737 159.3
[M]+ 268.07215 157.1
[M]- 268.07325 157.1
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.