CID 9904604

Schembl5178467

Structural Information

Molecular Formula
C17H24FN3O
SMILES
C1CC(=O)N(C1)CCCN2CCN(CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H24FN3O/c18-15-4-6-16(7-5-15)20-13-11-19(12-14-20)8-2-10-21-9-1-3-17(21)22/h4-7H,1-3,8-14H2
InChIKey
IXBOMVODGPKDJS-UHFFFAOYSA-N
Compound name
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
Patents

305.19034 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.19762 174.9
[M+Na]+ 328.17956 179.2
[M-H]- 304.18306 177.7
[M+NH4]+ 323.22416 186.8
[M+K]+ 344.15350 174.0
[M+H-H2O]+ 288.18760 162.9
[M+HCOO]- 350.18854 188.4
[M+CH3COO]- 364.20419 203.9
[M+Na-2H]- 326.16501 172.7
[M]+ 305.18979 168.3
[M]- 305.19089 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe