CID 59898

104819-36-5

Structural Information

Molecular Formula
C14H12N2O2S
SMILES
CC1=CC2=C(C=C1)OC(=C(C2=O)C3=CSC(=N3)N)C
InChI
InChI=1S/C14H12N2O2S/c1-7-3-4-11-9(5-7)13(17)12(8(2)18-11)10-6-19-14(15)16-10/h3-6H,1-2H3,(H2,15,16)
InChIKey
RFOZQYVMHLVABJ-UHFFFAOYSA-N
Compound name
3-(2-amino-1,3-thiazol-4-yl)-2,6-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 158.9
[M+Na]+ 295.05117 172.5
[M-H]- 271.05467 167.7
[M+NH4]+ 290.09577 176.7
[M+K]+ 311.02511 168.0
[M+H-H2O]+ 255.05921 152.5
[M+HCOO]- 317.06015 179.2
[M+CH3COO]- 331.07580 173.2
[M+Na-2H]- 293.03662 162.1
[M]+ 272.06140 165.1
[M]- 272.06250 165.1
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.