CID 2608761

105316-99-2

Structural Information

Molecular Formula
C11H9N3OS
SMILES
C1C2=C(C=CC(=C2)C3=CSC(=N3)N)NC1=O
InChI
InChI=1S/C11H9N3OS/c12-11-14-9(5-16-11)6-1-2-8-7(3-6)4-10(15)13-8/h1-3,5H,4H2,(H2,12,14)(H,13,15)
InChIKey
YRPIIMJICPLJAO-UHFFFAOYSA-N
Compound name
5-(2-amino-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

231.04663 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.053906 148.3
[M+Na]+ 254.035848 159.1
[M-H]- 230.039354 153.1
[M+NH4]+ 249.080453 168.2
[M+K]+ 270.009788 153.9
[M+H-H2O]+ 214.043890 142.3
[M+HCOO]- 276.044831 165.7
[M+CH3COO]- 290.060481 161.2
[M+Na-2H]- 252.021296 148.9
[M]+ 231.04608142 147.8
[M]- 231.04717858 147.8
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