CID 5287728

4-(2-hydroxybenzylamino)-n-(3-(4-fluorophenoxy)phenyl)piperidine-1-sulfonamide

Structural Information

Molecular Formula
C24H26FN3O4S
SMILES
C1CN(CCC1NCC2=CC=CC=C2O)S(=O)(=O)NC3=CC(=CC=C3)OC4=CC=C(C=C4)F
InChI
InChI=1S/C24H26FN3O4S/c25-19-8-10-22(11-9-19)32-23-6-3-5-21(16-23)27-33(30,31)28-14-12-20(13-15-28)26-17-18-4-1-2-7-24(18)29/h1-11,16,20,26-27,29H,12-15,17H2
InChIKey
JHHBGNIRSUTQAS-UHFFFAOYSA-N
Compound name
N-[3-(4-fluorophenoxy)phenyl]-4-[(2-hydroxyphenyl)methylamino]piperidine-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

471.1628 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.17008 206.8
[M+Na]+ 494.15202 210.1
[M-H]- 470.15552 214.1
[M+NH4]+ 489.19662 211.3
[M+K]+ 510.12596 203.3
[M+H-H2O]+ 454.16006 194.6
[M+HCOO]- 516.16100 218.7
[M+CH3COO]- 530.17665 234.0
[M+Na-2H]- 492.13747 208.9
[M]+ 471.16225 203.5
[M]- 471.16335 203.5
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