CID 5311271

Volinanserin

Structural Information

Molecular Formula
C22H28FNO3
SMILES
COC1=CC=CC(=C1OC)[C@@H](C2CCN(CC2)CCC3=CC=C(C=C3)F)O
InChI
InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3/t21-/m1/s1
InChIKey
HXTGXYRHXAGCFP-OAQYLSRUSA-N
Compound name
(R)-(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

332
References

3198
Patents

373.20532 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.21260 191.7
[M+Na]+ 396.19454 195.6
[M-H]- 372.19804 196.2
[M+NH4]+ 391.23914 201.2
[M+K]+ 412.16848 190.7
[M+H-H2O]+ 356.20258 180.4
[M+HCOO]- 418.20352 205.9
[M+CH3COO]- 432.21917 217.3
[M+Na-2H]- 394.17999 189.8
[M]+ 373.20477 189.3
[M]- 373.20587 189.3
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