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 203.2
[M-H]- 387.21904 204.8
[M+NH4]+ 406.26014 204.9
[M+K]+ 427.18948 195.9
[M+H-H2O]+ 371.22358 184.8
[M+HCOO]- 433.22452 211.9
[M+CH3COO]- 447.24017 205.4
[M+Na-2H]- 409.20099 195.4
[M]+ 388.22577 195.3
[M]- 388.22687 195.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.