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]+ 305.05908 164.1
[M+Na]+ 327.04102 177.1
[M-H]- 303.04452 170.8
[M+NH4]+ 322.08562 182.4
[M+K]+ 343.01496 172.8
[M+H-H2O]+ 287.04906 157.4
[M+HCOO]- 349.05000 181.4
[M+CH3COO]- 363.06565 200.5
[M+Na-2H]- 325.02647 167.0
[M]+ 304.05125 170.9
[M]- 304.05235 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.