CID 394801

Nsc698603

Structural Information

Molecular Formula
C14H12N2O4S
SMILES
CC1=CC2=C(N=C1)S(=O)(=O)N(C2=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C14H12N2O4S/c1-9-7-12-13(15-8-9)21(18,19)16(14(12)17)10-3-5-11(20-2)6-4-10/h3-8H,1-2H3
InChIKey
LEFLHZBGYCMOAC-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-5-methyl-1,1-dioxo-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0518 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.059076 164.1
[M+Na]+ 327.041018 177.1
[M-H]- 303.044524 170.8
[M+NH4]+ 322.085623 182.4
[M+K]+ 343.014958 172.8
[M+H-H2O]+ 287.049060 157.4
[M+HCOO]- 349.050001 181.4
[M+CH3COO]- 363.065651 200.5
[M+Na-2H]- 325.026466 167.0
[M]+ 304.05125142 170.9
[M]- 304.05234858 170.9
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.