CID 134819955

Lqfm030

Structural Information

Molecular Formula
C16H19ClN4O
SMILES
CC(=O)N1CCN(CC1)CC2=CN(N=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H19ClN4O/c1-13(22)20-8-6-19(7-9-20)11-14-10-18-21(12-14)16-4-2-15(17)3-5-16/h2-5,10,12H,6-9,11H2,1H3
InChIKey
QHKXDHJQHJXHGV-UHFFFAOYSA-N
Compound name
1-[4-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

318.12473 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.13201 174.1
[M+Na]+ 341.11395 188.1
[M+NH4]+ 336.15855 181.1
[M+K]+ 357.08789 182.4
[M-H]- 317.11745 177.4
[M+Na-2H]- 339.09940 181.5
[M]+ 318.12418 177.2
[M]- 318.12528 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.