CID 3025604

104416-62-8

Structural Information

Molecular Formula
C24H29FN4O
SMILES
CCC1=CC(=O)N(N1C2=CC=CC=C2)CCCN3CCN(CC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H29FN4O/c1-2-21-19-24(30)28(29(21)23-7-4-3-5-8-23)14-6-13-26-15-17-27(18-16-26)22-11-9-20(25)10-12-22/h3-5,7-12,19H,2,6,13-18H2,1H3
InChIKey
MRKKMZWXWHQYKF-UHFFFAOYSA-N
Compound name
5-ethyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

408.23254 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.23982 202.9
[M+Na]+ 431.22176 209.1
[M-H]- 407.22526 208.2
[M+NH4]+ 426.26636 209.1
[M+K]+ 447.19570 200.7
[M+H-H2O]+ 391.22980 188.4
[M+HCOO]- 453.23074 216.4
[M+CH3COO]- 467.24639 209.8
[M+Na-2H]- 429.20721 199.6
[M]+ 408.23199 200.0
[M]- 408.23309 200.0
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

patents stripe