CID 13196294

89011-84-7

Structural Information

Molecular Formula
C26H34FN3O
SMILES
CC(CN1CCN(CC1)CC(C2=CC=C(C=C2)F)N3CCCC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H34FN3O/c1-21(26(31)23-7-3-2-4-8-23)19-28-15-17-29(18-16-28)20-25(30-13-5-6-14-30)22-9-11-24(27)12-10-22/h2-4,7-12,21,25H,5-6,13-20H2,1H3
InChIKey
BHBWNYBKKMRJJJ-UHFFFAOYSA-N
Compound name
3-[4-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.2686 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.27588 205.9
[M+Na]+ 446.25782 205.4
[M-H]- 422.26132 210.6
[M+NH4]+ 441.30242 211.5
[M+K]+ 462.23176 199.1
[M+H-H2O]+ 406.26586 191.9
[M+HCOO]- 468.26680 214.5
[M+CH3COO]- 482.28245 210.5
[M+Na-2H]- 444.24327 198.9
[M]+ 423.26805 197.4
[M]- 423.26915 197.4
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