CID 51060057

882864-95-1

Structural Information

Molecular Formula
C16H14Cl2N4O2
SMILES
C1CN(CCN1C(=O)C2=NC(=CC=C2)Cl)C(=O)C3=NC(=CC=C3)Cl
InChI
InChI=1S/C16H14Cl2N4O2/c17-13-5-1-3-11(19-13)15(23)21-7-9-22(10-8-21)16(24)12-4-2-6-14(18)20-12/h1-6H,7-10H2
InChIKey
OBROJJVVZIDKMU-UHFFFAOYSA-N
Compound name
[4-(6-chloropyridine-2-carbonyl)piperazin-1-yl]-(6-chloropyridin-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.04938 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.05666 178.4
[M+Na]+ 387.03860 185.8
[M-H]- 363.04210 181.2
[M+NH4]+ 382.08320 185.9
[M+K]+ 403.01254 179.1
[M+H-H2O]+ 347.04664 166.9
[M+HCOO]- 409.04758 182.5
[M+CH3COO]- 423.06323 186.3
[M+Na-2H]- 385.02405 179.5
[M]+ 364.04883 177.7
[M]- 364.04993 177.7
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.