CID 3085695

6-methyl-2-(phenylthio)quinoline

Structural Information

Molecular Formula
C16H13NS
SMILES
CC1=CC2=C(C=C1)N=C(C=C2)SC3=CC=CC=C3
InChI
InChI=1S/C16H13NS/c1-12-7-9-15-13(11-12)8-10-16(17-15)18-14-5-3-2-4-6-14/h2-11H,1H3
InChIKey
MGBKIXGPXJZRIR-UHFFFAOYSA-N
Compound name
6-methyl-2-phenylsulfanylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.07687 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08415 153.8
[M+Na]+ 274.06609 171.6
[M+NH4]+ 269.11069 165.1
[M+K]+ 290.04003 159.4
[M-H]- 250.06959 160.7
[M+Na-2H]- 272.05154 165.1
[M]+ 251.07632 159.2
[M]- 251.07742 159.2
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.