CID 50988890

2-chloro-1-[4-(3,5-dichloropyridin-2-yl)piperazin-1-yl]ethan-1-one

Structural Information

Molecular Formula
C11H12Cl3N3O
SMILES
C1CN(CCN1C2=C(C=C(C=N2)Cl)Cl)C(=O)CCl
InChI
InChI=1S/C11H12Cl3N3O/c12-6-10(18)16-1-3-17(4-2-16)11-9(14)5-8(13)7-15-11/h5,7H,1-4,6H2
InChIKey
ASRKRHZMWQUUCX-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-(3,5-dichloropyridin-2-yl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

307.0046 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.01188 161.8
[M+Na]+ 329.99382 170.0
[M-H]- 305.99732 161.8
[M+NH4]+ 325.03842 173.8
[M+K]+ 345.96776 164.1
[M+H-H2O]+ 290.00186 153.5
[M+HCOO]- 352.00280 162.9
[M+CH3COO]- 366.01845 170.7
[M+Na-2H]- 327.97927 162.8
[M]+ 307.00405 161.1
[M]- 307.00515 161.1
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

patents stripe