CID 487281

8-(2-methylphenylthio)-5-quinolylamine

Structural Information

Molecular Formula
C16H14N2S
SMILES
CC1=CC=CC=C1SC2=C3C(=C(C=C2)N)C=CC=N3
InChI
InChI=1S/C16H14N2S/c1-11-5-2-3-7-14(11)19-15-9-8-13(17)12-6-4-10-18-16(12)15/h2-10H,17H2,1H3
InChIKey
YOOXIICFACHUML-UHFFFAOYSA-N
Compound name
8-(2-methylphenyl)sulfanylquinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.08777 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09505 158.0
[M+Na]+ 289.07699 167.7
[M-H]- 265.08049 164.2
[M+NH4]+ 284.12159 174.6
[M+K]+ 305.05093 161.0
[M+H-H2O]+ 249.08503 150.1
[M+HCOO]- 311.08597 175.6
[M+CH3COO]- 325.10162 170.1
[M+Na-2H]- 287.06244 163.0
[M]+ 266.08722 158.9
[M]- 266.08832 158.9
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.