CID 59897

Brn 5559698

Structural Information

Molecular Formula
C13H10N2O2S
SMILES
CC1=C(C(=O)C2=CC=CC=C2O1)C3=CSC(=N3)N
InChI
InChI=1S/C13H10N2O2S/c1-7-11(9-6-18-13(14)15-9)12(16)8-4-2-3-5-10(8)17-7/h2-6H,1H3,(H2,14,15)
InChIKey
JPZBTZITNDQIMR-UHFFFAOYSA-N
Compound name
3-(2-amino-1,3-thiazol-4-yl)-2-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0463 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05358 153.9
[M+Na]+ 281.03552 167.2
[M-H]- 257.03902 162.6
[M+NH4]+ 276.08012 172.0
[M+K]+ 297.00946 162.9
[M+H-H2O]+ 241.04356 147.5
[M+HCOO]- 303.04450 174.7
[M+CH3COO]- 317.06015 168.3
[M+Na-2H]- 279.02097 158.4
[M]+ 258.04575 159.4
[M]- 258.04685 159.4
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.