CID 71360

Iloperidone

Structural Information

Molecular Formula
C24H27FN2O4
SMILES
CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC
InChI
InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
InChIKey
XMXHEBAFVSFQEX-UHFFFAOYSA-N
Compound name
1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

172
References

10794
Patents

426.1955 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.20278 204.0
[M+Na]+ 449.18472 210.6
[M-H]- 425.18822 210.9
[M+NH4]+ 444.22932 212.1
[M+K]+ 465.15866 206.4
[M+H-H2O]+ 409.19276 192.0
[M+HCOO]- 471.19370 218.8
[M+CH3COO]- 485.20935 228.2
[M+Na-2H]- 447.17017 202.2
[M]+ 426.19495 207.1
[M]- 426.19605 207.1
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.