CID 489563

1-acetyl-3-thiazol-2-ylimino-indolin-2-one

Structural Information

Molecular Formula
C13H9N3O2S
SMILES
CC(=O)N1C2=CC=CC=C2C(=NC3=NC=CS3)C1=O
InChI
InChI=1S/C13H9N3O2S/c1-8(17)16-10-5-3-2-4-9(10)11(12(16)18)15-13-14-6-7-19-13/h2-7H,1H3
InChIKey
OPQYQUMIRVUPQU-UHFFFAOYSA-N
Compound name
1-acetyl-3-(1,3-thiazol-2-ylimino)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.04153 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04881 160.6
[M+Na]+ 294.03075 171.4
[M-H]- 270.03425 168.5
[M+NH4]+ 289.07535 180.3
[M+K]+ 310.00469 167.8
[M+H-H2O]+ 254.03879 153.8
[M+HCOO]- 316.03973 180.4
[M+CH3COO]- 330.05538 173.9
[M+Na-2H]- 292.01620 160.8
[M]+ 271.04098 164.5
[M]- 271.04208 164.5
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.