CID 501237

3-benzyloxy-2-benzylsulfanyl-pyridine

Structural Information

Molecular Formula
C19H17NOS
SMILES
C1=CC=C(C=C1)COC2=C(N=CC=C2)SCC3=CC=CC=C3
InChI
InChI=1S/C19H17NOS/c1-3-8-16(9-4-1)14-21-18-12-7-13-20-19(18)22-15-17-10-5-2-6-11-17/h1-13H,14-15H2
InChIKey
CMFZSRAZHJCMGN-UHFFFAOYSA-N
Compound name
2-benzylsulfanyl-3-phenylmethoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1031 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11038 170.3
[M+Na]+ 330.09232 177.7
[M-H]- 306.09582 178.3
[M+NH4]+ 325.13692 183.8
[M+K]+ 346.06626 171.2
[M+H-H2O]+ 290.10036 160.7
[M+HCOO]- 352.10130 188.4
[M+CH3COO]- 366.11695 181.3
[M+Na-2H]- 328.07777 174.7
[M]+ 307.10255 172.7
[M]- 307.10365 172.7
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.