CID 65704

Fopirtoline

Structural Information

Molecular Formula
C11H15ClN2OS
SMILES
C1COCCN1CCSC2=NC(=CC=C2)Cl
InChI
InChI=1S/C11H15ClN2OS/c12-10-2-1-3-11(13-10)16-9-6-14-4-7-15-8-5-14/h1-3H,4-9H2
InChIKey
IEZSLVKNOOIGQP-UHFFFAOYSA-N
Compound name
4-[2-[(6-chloro-2-pyridinyl)sulfanyl]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

832
Patents

258.05936 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06664 153.9
[M+Na]+ 281.04858 160.8
[M-H]- 257.05208 157.6
[M+NH4]+ 276.09318 168.0
[M+K]+ 297.02252 157.1
[M+H-H2O]+ 241.05662 146.1
[M+HCOO]- 303.05756 162.1
[M+CH3COO]- 317.07321 164.7
[M+Na-2H]- 279.03403 156.9
[M]+ 258.05881 155.0
[M]- 258.05991 155.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.