CID 326649

Nsc298329

Structural Information

Molecular Formula
C13H16N2O2S
SMILES
CN(C)C(=O)CC1(C2=CC=CC=C2NC1=O)SC
InChI
InChI=1S/C13H16N2O2S/c1-15(2)11(16)8-13(18-3)9-6-4-5-7-10(9)14-12(13)17/h4-7H,8H2,1-3H3,(H,14,17)
InChIKey
QGYVLFOCVYORLH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(3-methylsulfanyl-2-oxo-1H-indol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.09326 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10054 158.7
[M+Na]+ 287.08248 166.8
[M-H]- 263.08598 162.1
[M+NH4]+ 282.12708 179.4
[M+K]+ 303.05642 163.7
[M+H-H2O]+ 247.09052 153.3
[M+HCOO]- 309.09146 174.5
[M+CH3COO]- 323.10711 197.5
[M+Na-2H]- 285.06793 160.3
[M]+ 264.09271 161.8
[M]- 264.09381 161.8
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

No patent data available for this compound.