CID 463843

108361-85-9

Structural Information

Molecular Formula
C16H14N2O4S
SMILES
CC1=CC(=NC2=C1C(=O)N(S2(=O)=O)CC(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C16H14N2O4S/c1-10-8-11(2)17-15-14(10)16(20)18(23(15,21)22)9-13(19)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKey
MVJRNFYKVCYUEI-UHFFFAOYSA-N
Compound name
4,6-dimethyl-1,1-dioxo-2-phenacyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.0674 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.07468 171.7
[M+Na]+ 353.05662 183.7
[M-H]- 329.06012 178.1
[M+NH4]+ 348.10122 188.7
[M+K]+ 369.03056 178.9
[M+H-H2O]+ 313.06466 164.9
[M+HCOO]- 375.06560 187.4
[M+CH3COO]- 389.08125 206.5
[M+Na-2H]- 351.04207 172.8
[M]+ 330.06685 177.9
[M]- 330.06795 177.9
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.