CID 13672111

104416-78-6

Structural Information

Molecular Formula
C23H28N4O
SMILES
CC1=CC(=O)N(N1C2=CC=CC=C2)CCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C23H28N4O/c1-20-19-23(28)26(27(20)22-11-6-3-7-12-22)14-8-13-24-15-17-25(18-16-24)21-9-4-2-5-10-21/h2-7,9-12,19H,8,13-18H2,1H3
InChIKey
JSXRAEXVCTUPNH-UHFFFAOYSA-N
Compound name
5-methyl-1-phenyl-2-[3-(4-phenylpiperazin-1-yl)propyl]pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.22632 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.23360 195.1
[M+Na]+ 399.21554 210.4
[M+NH4]+ 394.26014 201.8
[M+K]+ 415.18948 202.9
[M-H]- 375.21904 201.1
[M+Na-2H]- 397.20099 204.6
[M]+ 376.22577 199.0
[M]- 376.22687 199.0
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.