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

45
Patents

204.03574 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.043016 147.4
[M+Na]+ 227.024958 160.0
[M-H]- 203.028464 150.0
[M+NH4]+ 222.069563 166.6
[M+K]+ 242.998898 154.4
[M+H-H2O]+ 187.033000 135.7
[M+HCOO]- 249.033941 160.3
[M+CH3COO]- 263.049591 159.1
[M+Na-2H]- 225.010406 149.0
[M]+ 204.03519142 143.8
[M]- 204.03628858 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