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]+ 274.064476 159.9
[M+Na]+ 296.046418 170.3
[M-H]- 272.049924 166.2
[M+NH4]+ 291.091023 178.9
[M+K]+ 312.020358 165.9
[M+H-H2O]+ 256.054460 153.2
[M+HCOO]- 318.055401 179.1
[M+CH3COO]- 332.071051 172.7
[M+Na-2H]- 294.031866 160.9
[M]+ 273.05665142 163.4
[M]- 273.05774858 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.