CID 389233

106578-02-3

Structural Information

Molecular Formula
C13H9NO2S
SMILES
CC1=NC(=CS1)C2=CC3=CC=CC=C3OC2=O
InChI
InChI=1S/C13H9NO2S/c1-8-14-11(7-17-8)10-6-9-4-2-3-5-12(9)16-13(10)15/h2-7H,1H3
InChIKey
XVGKZNSQFDIWRA-UHFFFAOYSA-N
Compound name
3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.0354 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.04268 148.9
[M+Na]+ 266.02462 162.4
[M-H]- 242.02812 158.0
[M+NH4]+ 261.06922 168.1
[M+K]+ 281.99856 158.7
[M+H-H2O]+ 226.03266 142.8
[M+HCOO]- 288.03360 169.5
[M+CH3COO]- 302.04925 164.0
[M+Na-2H]- 264.01007 154.4
[M]+ 243.03485 155.7
[M]- 243.03595 155.7
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.