CID 581468

64895-61-0

Structural Information

Molecular Formula
C20H16N2OS
SMILES
COC1=C(C2=C(C(=C1)N)N=CC=C2)SC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C20H16N2OS/c1-23-18-12-17(21)19-16(7-4-10-22-19)20(18)24-15-9-8-13-5-2-3-6-14(13)11-15/h2-12H,21H2,1H3
InChIKey
LTINHDXYHXYXME-UHFFFAOYSA-N
Compound name
6-methoxy-5-naphthalen-2-ylsulfanylquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

332.09833 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10561 174.9
[M+Na]+ 355.08755 185.7
[M-H]- 331.09105 182.2
[M+NH4]+ 350.13215 189.7
[M+K]+ 371.06149 178.3
[M+H-H2O]+ 315.09559 166.0
[M+HCOO]- 377.09653 192.4
[M+CH3COO]- 391.11218 186.3
[M+Na-2H]- 353.07300 181.6
[M]+ 332.09778 179.0
[M]- 332.09888 179.0
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