CID 199820

Go 1002

Structural Information

Molecular Formula
C24H28N4O
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=C(N(N=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C24H28N4O/c1-19-8-6-7-11-23(19)27-16-14-26(15-17-27)13-12-24(29)22-18-25-28(20(22)2)21-9-4-3-5-10-21/h3-11,18H,12-17H2,1-2H3
InChIKey
WTNADHOSTWUZSP-UHFFFAOYSA-N
Compound name
3-[4-(2-methylphenyl)piperazin-1-yl]-1-(5-methyl-1-phenylpyrazol-4-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.22632 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.23360 198.2
[M+Na]+ 411.21554 212.9
[M+NH4]+ 406.26014 204.6
[M+K]+ 427.18948 206.1
[M-H]- 387.21904 204.0
[M+Na-2H]- 409.20099 207.2
[M]+ 388.22577 201.9
[M]- 388.22687 201.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.