CID 487290

5-amino-8-quinolyl-(2'-thiazolinyl)sulfide

Structural Information

Molecular Formula
C12H11N3S2
SMILES
C1=CC2=C(C=CC(=C2N=C1)SC3NC=CS3)N
InChI
InChI=1S/C12H11N3S2/c13-9-3-4-10(17-12-15-6-7-16-12)11-8(9)2-1-5-14-11/h1-7,12,15H,13H2
InChIKey
VIXPVDXILFVRIH-UHFFFAOYSA-N
Compound name
8-(2,3-dihydro-1,3-thiazol-2-ylsulfanyl)quinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.03943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.04671 150.3
[M+Na]+ 284.02865 160.4
[M-H]- 260.03215 153.7
[M+NH4]+ 279.07325 167.4
[M+K]+ 300.00259 153.1
[M+H-H2O]+ 244.03669 144.3
[M+HCOO]- 306.03763 161.0
[M+CH3COO]- 320.05328 161.7
[M+Na-2H]- 282.01410 152.5
[M]+ 261.03888 149.3
[M]- 261.03998 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.