CID 59823

Sabeluzole

Structural Information

Molecular Formula
C22H26FN3O2S
SMILES
CN(C1CCN(CC1)CC(COC2=CC=C(C=C2)F)O)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C22H26FN3O2S/c1-25(22-24-20-4-2-3-5-21(20)29-22)17-10-12-26(13-11-17)14-18(27)15-28-19-8-6-16(23)7-9-19/h2-9,17-18,27H,10-15H2,1H3
InChIKey
IGMKTIJBFUMVIN-UHFFFAOYSA-N
Compound name
1-[4-[1,3-benzothiazol-2-yl(methyl)amino]piperidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

40
References

4509
Patents

415.17297 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.18025 195.3
[M+Na]+ 438.16219 200.3
[M-H]- 414.16569 201.3
[M+NH4]+ 433.20679 205.5
[M+K]+ 454.13613 194.8
[M+H-H2O]+ 398.17023 184.6
[M+HCOO]- 460.17117 206.9
[M+CH3COO]- 474.18682 203.2
[M+Na-2H]- 436.14764 193.8
[M]+ 415.17242 196.0
[M]- 415.17352 196.0
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