CID 135422922

4-chloro-6-(4-piperazin-1-yl-1h-pyrazol-5-yl)benzene-1,3-diol

Structural Information

Molecular Formula
C13H15ClN4O2
SMILES
C1CN(CCN1)C2=C(NN=C2)C3=CC(=C(C=C3O)O)Cl
InChI
InChI=1S/C13H15ClN4O2/c14-9-5-8(11(19)6-12(9)20)13-10(7-16-17-13)18-3-1-15-2-4-18/h5-7,15,19-20H,1-4H2,(H,16,17)
InChIKey
RFPHEBUOQYYPDO-UHFFFAOYSA-N
Compound name
4-chloro-6-(4-piperazin-1-yl-1H-pyrazol-5-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

294.08835 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09563 166.9
[M+Na]+ 317.07757 174.5
[M-H]- 293.08107 166.2
[M+NH4]+ 312.12217 176.5
[M+K]+ 333.05151 166.5
[M+H-H2O]+ 277.08561 157.6
[M+HCOO]- 339.08655 173.7
[M+CH3COO]- 353.10220 175.0
[M+Na-2H]- 315.06302 166.8
[M]+ 294.08780 160.7
[M]- 294.08890 160.7
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

patents stripe