CID 55183

Brn 5635213

Structural Information

Molecular Formula
C24H28FN3O
SMILES
CN1CCN(CC1CC2=CNC3=CC=CC=C32)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H28FN3O/c1-27-13-14-28(12-4-7-24(29)18-8-10-20(25)11-9-18)17-21(27)15-19-16-26-23-6-3-2-5-22(19)23/h2-3,5-6,8-11,16,21,26H,4,7,12-15,17H2,1H3
InChIKey
KUUMBFIVZDMVRO-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[3-(1H-indol-3-ylmethyl)-4-methylpiperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.22165 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.22893 198.3
[M+Na]+ 416.21087 204.0
[M-H]- 392.21437 201.5
[M+NH4]+ 411.25547 207.1
[M+K]+ 432.18481 195.5
[M+H-H2O]+ 376.21891 185.9
[M+HCOO]- 438.21985 210.8
[M+CH3COO]- 452.23550 205.3
[M+Na-2H]- 414.19632 196.1
[M]+ 393.22110 195.0
[M]- 393.22220 195.0
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.