CID 135406216

2h-indol-2-one, 1,3-dihydro-3-(2-thiazolylimino)-

Structural Information

Molecular Formula
C11H7N3OS
SMILES
C1=CC=C2C(=C1)C(=NC3=NC=CS3)C(=O)N2
InChI
InChI=1S/C11H7N3OS/c15-10-9(14-11-12-5-6-16-11)7-3-1-2-4-8(7)13-10/h1-6H,(H,12,13,14,15)
InChIKey
PNTKBLRMHBTOFR-UHFFFAOYSA-N
Compound name
3-(1,3-thiazol-2-ylimino)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

229.03099 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.03827 147.7
[M+Na]+ 252.02021 158.5
[M-H]- 228.02371 154.1
[M+NH4]+ 247.06481 168.4
[M+K]+ 267.99415 154.0
[M+H-H2O]+ 212.02825 141.2
[M+HCOO]- 274.02919 167.5
[M+CH3COO]- 288.04484 161.3
[M+Na-2H]- 250.00566 150.2
[M]+ 229.03044 148.8
[M]- 229.03154 148.8
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

No patent data available for this compound.