CID 49381

Fluperlapine

Structural Information

Molecular Formula
C19H20FN3
SMILES
CN1CCN(CC1)C2=NC3=C(CC4=CC=CC=C42)C=CC(=C3)F
InChI
InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3
InChIKey
OBWGMKKHCLHVIE-UHFFFAOYSA-N
Compound name
3-fluoro-6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

46
References

566
Patents

309.16412 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.171396 173.8
[M+Na]+ 332.153338 181.4
[M-H]- 308.156844 177.7
[M+NH4]+ 327.197943 185.9
[M+K]+ 348.127278 178.2
[M+H-H2O]+ 292.161380 162.7
[M+HCOO]- 354.162321 186.5
[M+CH3COO]- 368.177971 182.8
[M+Na-2H]- 330.138786 178.2
[M]+ 309.16357142 167.0
[M]- 309.16466858 167.0
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