CID 326652

Nsc298332

Structural Information

Molecular Formula
C16H20N2O2S
SMILES
CSC1(C2=CC=CC=C2NC1=O)CC(=O)N3CCCCC3
InChI
InChI=1S/C16H20N2O2S/c1-21-16(11-14(19)18-9-5-2-6-10-18)12-7-3-4-8-13(12)17-15(16)20/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,20)
InChIKey
DANLJVPCURZFLE-UHFFFAOYSA-N
Compound name
3-methylsulfanyl-3-(2-oxo-2-piperidin-1-ylethyl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.12454 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13182 171.3
[M+Na]+ 327.11376 177.3
[M-H]- 303.11726 173.9
[M+NH4]+ 322.15836 188.0
[M+K]+ 343.08770 172.3
[M+H-H2O]+ 287.12180 164.1
[M+HCOO]- 349.12274 180.7
[M+CH3COO]- 363.13839 180.5
[M+Na-2H]- 325.09921 170.5
[M]+ 304.12399 168.7
[M]- 304.12509 168.7
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

No patent data available for this compound.