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 153.7
[M+Na]+ 291.06192 163.3
[M-H]- 267.06542 154.9
[M+NH4]+ 286.10652 165.4
[M+K]+ 307.03586 159.6
[M+H-H2O]+ 251.06996 138.0
[M+HCOO]- 313.07090 162.5
[M+CH3COO]- 327.08655 204.9
[M+Na-2H]- 289.04737 154.5
[M]+ 268.07215 149.0
[M]- 268.07325 149.0
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.