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]+ 313.20228 179.3
[M+Na]+ 335.18422 186.3
[M-H]- 311.18772 182.8
[M+NH4]+ 330.22882 188.0
[M+K]+ 351.15816 180.0
[M+H-H2O]+ 295.19226 166.9
[M+HCOO]- 357.19320 193.9
[M+CH3COO]- 371.20885 188.0
[M+Na-2H]- 333.16967 181.4
[M]+ 312.19445 176.8
[M]- 312.19555 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.