CID 725400

105316-79-8

Structural Information

Molecular Formula
C12H11N3OS
SMILES
C1CC(=O)NC2=C1C=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C12H11N3OS/c13-12-15-10(6-17-12)8-1-3-9-7(5-8)2-4-11(16)14-9/h1,3,5-6H,2,4H2,(H2,13,15)(H,14,16)
InChIKey
FXDMXJQMOVVRFM-UHFFFAOYSA-N
Compound name
6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

17
Patents

245.06229 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06957 151.6
[M+Na]+ 268.05151 160.9
[M-H]- 244.05501 155.3
[M+NH4]+ 263.09611 168.8
[M+K]+ 284.02545 154.9
[M+H-H2O]+ 228.05955 144.7
[M+HCOO]- 290.06049 166.3
[M+CH3COO]- 304.07614 163.2
[M+Na-2H]- 266.03696 153.6
[M]+ 245.06174 148.9
[M]- 245.06284 148.9
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

patents stripe