CID 9823904

Hydroxy iloperidone

Structural Information

Molecular Formula
C24H29FN2O4
SMILES
CC(C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC)O
InChI
InChI=1S/C24H29FN2O4/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/h4-7,14-17,28H,3,8-13H2,1-2H3
InChIKey
SBKZGLWZGZQVHA-UHFFFAOYSA-N
Compound name
1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

244
Patents

428.21112 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.21840 207.2
[M+Na]+ 451.20034 219.8
[M+NH4]+ 446.24494 212.6
[M+K]+ 467.17428 214.5
[M-H]- 427.20384 211.3
[M+Na-2H]- 449.18579 211.5
[M]+ 428.21057 210.0
[M]- 428.21167 210.0
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