CID 55183

Dtxsid90906007

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]+ 394.228926 198.3
[M+Na]+ 416.210868 204.0
[M-H]- 392.214374 201.5
[M+NH4]+ 411.255473 207.1
[M+K]+ 432.184808 195.5
[M+H-H2O]+ 376.218910 185.9
[M+HCOO]- 438.219851 210.8
[M+CH3COO]- 452.235501 205.3
[M+Na-2H]- 414.196316 196.1
[M]+ 393.22110142 195.0
[M]- 393.22219858 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.