CID 4379272

4-methyl-1-phenyl-2(1h)-quinolinethione

Structural Information

Molecular Formula
C16H13NS
SMILES
CC1=CC(=S)N(C2=CC=CC=C12)C3=CC=CC=C3
InChI
InChI=1S/C16H13NS/c1-12-11-16(18)17(13-7-3-2-4-8-13)15-10-6-5-9-14(12)15/h2-11H,1H3
InChIKey
JEONDQRCXYJENE-UHFFFAOYSA-N
Compound name
4-methyl-1-phenylquinoline-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

251.07687 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08415 153.4
[M+Na]+ 274.06609 164.3
[M-H]- 250.06959 160.4
[M+NH4]+ 269.11069 171.3
[M+K]+ 290.04003 157.6
[M+H-H2O]+ 234.07413 145.8
[M+HCOO]- 296.07507 170.9
[M+CH3COO]- 310.09072 166.4
[M+Na-2H]- 272.05154 158.7
[M]+ 251.07632 155.2
[M]- 251.07742 155.2
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

patents stripe