CID 12351490

3-(methylsulfanyl)-2-oxo-2,3-dihydro-1h-indole-5-carbonitrile

Structural Information

Molecular Formula
C10H8N2OS
SMILES
CSC1C2=C(C=CC(=C2)C#N)NC1=O
InChI
InChI=1S/C10H8N2OS/c1-14-9-7-4-6(5-11)2-3-8(7)12-10(9)13/h2-4,9H,1H3,(H,12,13)
InChIKey
FJUDHSLBVBUTSZ-UHFFFAOYSA-N
Compound name
3-methylsulfanyl-2-oxo-1,3-dihydroindole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

204.03574 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04302 147.4
[M+Na]+ 227.02496 160.0
[M-H]- 203.02846 150.0
[M+NH4]+ 222.06956 166.6
[M+K]+ 242.99890 154.4
[M+H-H2O]+ 187.03300 135.7
[M+HCOO]- 249.03394 160.3
[M+CH3COO]- 263.04959 159.1
[M+Na-2H]- 225.01041 149.0
[M]+ 204.03519 143.8
[M]- 204.03629 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe