CID 44266438

349536-41-0

Structural Information

Molecular Formula
C18H15ClN2O3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=C(N=CC(=C2)Cl)C3=CN=C(C=C3)CO
InChI
InChI=1S/C18H15ClN2O3S/c1-25(23,24)16-6-3-12(4-7-16)17-8-14(19)10-21-18(17)13-2-5-15(11-22)20-9-13/h2-10,22H,11H2,1H3
InChIKey
SCVWZQQMIZJGJY-UHFFFAOYSA-N
Compound name
[5-[5-chloro-3-(4-methylsulfonylphenyl)pyridin-2-yl]pyridin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

374.0492 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.05648 185.7
[M+Na]+ 397.03842 202.8
[M+NH4]+ 392.08302 192.9
[M+K]+ 413.01236 192.7
[M-H]- 373.04192 190.3
[M+Na-2H]- 395.02387 195.7
[M]+ 374.04865 190.4
[M]- 374.04975 190.4
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