CID 207906

Ag 266

Structural Information

Molecular Formula
C18H24N4O
SMILES
CC1=CC(=NN(C1=O)CCN2CCN(CC2)C)C3=CC=CC=C3
InChI
InChI=1S/C18H24N4O/c1-15-14-17(16-6-4-3-5-7-16)19-22(18(15)23)13-12-21-10-8-20(2)9-11-21/h3-7,14H,8-13H2,1-2H3
InChIKey
QCPTVEILVXHXPE-UHFFFAOYSA-N
Compound name
4-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.195 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.202276 179.3
[M+Na]+ 335.184218 186.3
[M-H]- 311.187724 182.8
[M+NH4]+ 330.228823 188.0
[M+K]+ 351.158158 180.0
[M+H-H2O]+ 295.192260 166.9
[M+HCOO]- 357.193201 193.9
[M+CH3COO]- 371.208851 188.0
[M+Na-2H]- 333.169666 181.4
[M]+ 312.19445142 176.8
[M]- 312.19554858 176.8
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.