CID 6918248

Flibanserin

Structural Information

Molecular Formula
C20H21F3N4O
SMILES
C1CN(CCN1CCN2C3=CC=CC=C3NC2=O)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28)
InChIKey
PPRRDFIXUUSXRA-UHFFFAOYSA-N
Compound name
3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

191
References

2459
Patents

390.16675 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.17403 193.6
[M+Na]+ 413.15597 202.0
[M-H]- 389.15947 193.7
[M+NH4]+ 408.20057 201.3
[M+K]+ 429.12991 193.0
[M+H-H2O]+ 373.16401 179.6
[M+HCOO]- 435.16495 203.2
[M+CH3COO]- 449.18060 200.5
[M+Na-2H]- 411.14142 194.1
[M]+ 390.16620 187.5
[M]- 390.16730 187.5
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