CID 108043

R 56865

Structural Information

Molecular Formula
C23H28FN3OS
SMILES
CN(C1CCN(CC1)CCCCOC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C23H28FN3OS/c1-26(23-25-21-6-2-3-7-22(21)29-23)19-12-15-27(16-13-19)14-4-5-17-28-20-10-8-18(24)9-11-20/h2-3,6-11,19H,4-5,12-17H2,1H3
InChIKey
PZPXREFPAFDHNG-UHFFFAOYSA-N
Compound name
N-[1-[4-(4-fluorophenoxy)butyl]piperidin-4-yl]-N-methyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

72
References

27
Patents

413.19373 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.20101 197.4
[M+Na]+ 436.18295 203.2
[M-H]- 412.18645 204.5
[M+NH4]+ 431.22755 208.6
[M+K]+ 452.15689 196.9
[M+H-H2O]+ 396.19099 185.9
[M+HCOO]- 458.19193 211.0
[M+CH3COO]- 472.20758 205.7
[M+Na-2H]- 434.16840 196.3
[M]+ 413.19318 199.3
[M]- 413.19428 199.3
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