CID 215324

3(2h)-pyridazinone, 2-((4-butyl-1-piperazinyl)methyl)-6-phenyl-

Structural Information

Molecular Formula
C19H26N4O
SMILES
CCCCN1CCN(CC1)CN2C(=O)C=CC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C19H26N4O/c1-2-3-11-21-12-14-22(15-13-21)16-23-19(24)10-9-18(20-23)17-7-5-4-6-8-17/h4-10H,2-3,11-16H2,1H3
InChIKey
HCAXGVADQJIQQL-UHFFFAOYSA-N
Compound name
2-[(4-butylpiperazin-1-yl)methyl]-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.21066 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.21794 182.8
[M+Na]+ 349.19988 188.4
[M-H]- 325.20338 185.7
[M+NH4]+ 344.24448 190.7
[M+K]+ 365.17382 181.9
[M+H-H2O]+ 309.20792 170.0
[M+HCOO]- 371.20886 197.1
[M+CH3COO]- 385.22451 190.7
[M+Na-2H]- 347.18533 185.2
[M]+ 326.21011 180.2
[M]- 326.21121 180.2
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.