CID 215323

35451-76-4

Structural Information

Molecular Formula
C18H24N4O
SMILES
CCCN1CCN(CC1)CN2C(=O)C=CC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C18H24N4O/c1-2-10-20-11-13-21(14-12-20)15-22-18(23)9-8-17(19-22)16-6-4-3-5-7-16/h3-9H,2,10-15H2,1H3
InChIKey
MVPWWLJIRAFOJG-UHFFFAOYSA-N
Compound name
6-phenyl-2-[(4-propylpiperazin-1-yl)methyl]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.195 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.202276 178.6
[M+Na]+ 335.184218 184.6
[M-H]- 311.187724 181.7
[M+NH4]+ 330.228823 187.0
[M+K]+ 351.158158 178.3
[M+H-H2O]+ 295.192260 165.9
[M+HCOO]- 357.193201 193.2
[M+CH3COO]- 371.208851 186.9
[M+Na-2H]- 333.169666 181.5
[M]+ 312.19445142 175.6
[M]- 312.19554858 175.6
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.