CID 735273

4-chloro-2-phenyl-5-(piperazin-1-yl)-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C14H15ClN4O
SMILES
C1CN(CCN1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl
InChI
InChI=1S/C14H15ClN4O/c15-13-12(18-8-6-16-7-9-18)10-17-19(14(13)20)11-4-2-1-3-5-11/h1-5,10,16H,6-9H2
InChIKey
YPCRZRLLNDTCOR-UHFFFAOYSA-N
Compound name
4-chloro-2-phenyl-5-piperazin-1-ylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

290.09344 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10072 166.6
[M+Na]+ 313.08266 174.6
[M-H]- 289.08616 168.7
[M+NH4]+ 308.12726 176.1
[M+K]+ 329.05660 167.1
[M+H-H2O]+ 273.09070 155.2
[M+HCOO]- 335.09164 176.4
[M+CH3COO]- 349.10729 175.6
[M+Na-2H]- 311.06811 170.7
[M]+ 290.09289 162.6
[M]- 290.09399 162.6
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