CID 135511275

5-ethoxy-3-thiazol-2-ylimino-indolin-2-one

Structural Information

Molecular Formula
C13H11N3O2S
SMILES
CCOC1=CC2=C(C=C1)NC(=O)C2=NC3=NC=CS3
InChI
InChI=1S/C13H11N3O2S/c1-2-18-8-3-4-10-9(7-8)11(12(17)15-10)16-13-14-5-6-19-13/h3-7H,2H2,1H3,(H,14,15,16,17)
InChIKey
YMBYCRRSSAJISE-UHFFFAOYSA-N
Compound name
5-ethoxy-3-(1,3-thiazol-2-ylimino)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.0572 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06448 159.9
[M+Na]+ 296.04642 170.3
[M-H]- 272.04992 166.2
[M+NH4]+ 291.09102 178.9
[M+K]+ 312.02036 165.9
[M+H-H2O]+ 256.05446 153.2
[M+HCOO]- 318.05540 179.1
[M+CH3COO]- 332.07105 172.7
[M+Na-2H]- 294.03187 160.9
[M]+ 273.05665 163.4
[M]- 273.05775 163.4
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.