CID 511948

5-methylsulfonyl-2-[(4-phenylsulfanylphenyl)methyl]pyridine

Structural Information

Molecular Formula
C19H17NO2S2
SMILES
CS(=O)(=O)C1=CN=C(C=C1)CC2=CC=C(C=C2)SC3=CC=CC=C3
InChI
InChI=1S/C19H17NO2S2/c1-24(21,22)19-12-9-16(20-14-19)13-15-7-10-18(11-8-15)23-17-5-3-2-4-6-17/h2-12,14H,13H2,1H3
InChIKey
LQAYZPJJUSDISN-UHFFFAOYSA-N
Compound name
5-methylsulfonyl-2-[(4-phenylsulfanylphenyl)methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.07007 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.07735 181.0
[M+Na]+ 378.05929 190.0
[M-H]- 354.06279 189.1
[M+NH4]+ 373.10389 193.0
[M+K]+ 394.03323 182.1
[M+H-H2O]+ 338.06733 172.3
[M+HCOO]- 400.06827 192.8
[M+CH3COO]- 414.08392 191.2
[M+Na-2H]- 376.04474 183.7
[M]+ 355.06952 184.1
[M]- 355.07062 184.1
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.