CID 13672141

104417-33-6

Structural Information

Molecular Formula
C22H27N5O
SMILES
CC1=CC(=O)N(N1C2=CC=CC=C2)CCCN3CCN(CC3)C4=CC=CC=N4
InChI
InChI=1S/C22H27N5O/c1-19-18-22(28)26(27(19)20-8-3-2-4-9-20)13-7-12-24-14-16-25(17-15-24)21-10-5-6-11-23-21/h2-6,8-11,18H,7,12-17H2,1H3
InChIKey
HQAOUOTZNYQPKI-UHFFFAOYSA-N
Compound name
5-methyl-1-phenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.22156 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.22884 194.4
[M+Na]+ 400.21078 209.6
[M+NH4]+ 395.25538 200.4
[M+K]+ 416.18472 202.7
[M-H]- 376.21428 199.6
[M+Na-2H]- 398.19623 203.7
[M]+ 377.22101 198.0
[M]- 377.22211 198.0
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.