CID 13672121

104416-96-8

Structural Information

Molecular Formula
C24H31N5O2
SMILES
CC1=CC(=NC=C1)N2CCN(CC2)CCCN3C(=O)C=C(N3C4=CC=CC=C4OC)C
InChI
InChI=1S/C24H31N5O2/c1-19-9-10-25-23(17-19)27-15-13-26(14-16-27)11-6-12-28-24(30)18-20(2)29(28)21-7-4-5-8-22(21)31-3/h4-5,7-10,17-18H,6,11-16H2,1-3H3
InChIKey
UUFVFJJZAUFPMK-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-5-methyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.24777 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.25505 207.1
[M+Na]+ 444.23699 222.1
[M+NH4]+ 439.28159 212.2
[M+K]+ 460.21093 215.7
[M-H]- 420.24049 212.0
[M+Na-2H]- 442.22244 214.9
[M]+ 421.24722 210.6
[M]- 421.24832 210.6
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.