CID 3042333

59594-19-3

Structural Information

Molecular Formula
C24H30FN3O
SMILES
C1CCN(C(C1)CCN2CCN(CC2)C3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H30FN3O/c25-21-9-11-22(12-10-21)27-18-16-26(17-19-27)15-13-23-8-4-5-14-28(23)24(29)20-6-2-1-3-7-20/h1-3,6-7,9-12,23H,4-5,8,13-19H2
InChIKey
NGMWWOQGZWZXMP-UHFFFAOYSA-N
Compound name
[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.2373 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.24458 200.6
[M+Na]+ 418.22652 201.7
[M-H]- 394.23002 204.9
[M+NH4]+ 413.27112 205.7
[M+K]+ 434.20046 194.5
[M+H-H2O]+ 378.23456 185.6
[M+HCOO]- 440.23550 209.3
[M+CH3COO]- 454.25115 205.5
[M+Na-2H]- 416.21197 197.7
[M]+ 395.23675 190.4
[M]- 395.23785 190.4
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

No patent data available for this compound.