CID 125564

Blonanserin

Structural Information

Molecular Formula
C23H30FN3
SMILES
CCN1CCN(CC1)C2=NC3=C(CCCCCC3)C(=C2)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3
InChIKey
XVGOZDAJGBALKS-UHFFFAOYSA-N
Compound name
2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

151
References

4459
Patents

367.24237 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.24965 174.0
[M+Na]+ 390.23159 178.3
[M+NH4]+ 385.27619 176.5
[M+K]+ 406.20553 175.7
[M-H]- 366.23509 175.5
[M+Na-2H]- 388.21704 176.5
[M]+ 367.24182 175.0
[M]- 367.24292 175.0
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