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]+ 313.20228 178.6
[M+Na]+ 335.18422 184.6
[M-H]- 311.18772 181.7
[M+NH4]+ 330.22882 187.0
[M+K]+ 351.15816 178.3
[M+H-H2O]+ 295.19226 165.9
[M+HCOO]- 357.19320 193.2
[M+CH3COO]- 371.20885 186.9
[M+Na-2H]- 333.16967 181.5
[M]+ 312.19445 175.6
[M]- 312.19555 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.