CID 394798

Nsc698600

Structural Information

Molecular Formula
C14H12N2O2S
SMILES
CC1=CC2=C(N=C1)SN(C2=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C14H12N2O2S/c1-9-7-12-13(15-8-9)19-16(14(12)17)10-3-5-11(18-2)6-4-10/h3-8H,1-2H3
InChIKey
JWDLSSYXAGGQHA-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-5-methyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.06195 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06923 158.5
[M+Na]+ 295.05117 171.9
[M-H]- 271.05467 165.5
[M+NH4]+ 290.09577 176.5
[M+K]+ 311.02511 166.8
[M+H-H2O]+ 255.05921 151.2
[M+HCOO]- 317.06015 178.0
[M+CH3COO]- 331.07580 172.4
[M+Na-2H]- 293.03662 162.0
[M]+ 272.06140 165.8
[M]- 272.06250 165.8
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.