CID 746758

3-(4-phenyl-1,3-thiazol-2-yl)-2h-chromen-2-one

Structural Information

Molecular Formula
C18H11NO2S
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)C3=CC4=CC=CC=C4OC3=O
InChI
InChI=1S/C18H11NO2S/c20-18-14(10-13-8-4-5-9-16(13)21-18)17-19-15(11-22-17)12-6-2-1-3-7-12/h1-11H
InChIKey
RFSVQIQUCIQDRC-UHFFFAOYSA-N
Compound name
3-(4-phenyl-1,3-thiazol-2-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.05106 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.05834 167.3
[M+Na]+ 328.04028 180.0
[M-H]- 304.04378 179.0
[M+NH4]+ 323.08488 183.2
[M+K]+ 344.01422 174.7
[M+H-H2O]+ 288.04832 159.6
[M+HCOO]- 350.04926 187.5
[M+CH3COO]- 364.06491 180.9
[M+Na-2H]- 326.02573 172.3
[M]+ 305.05051 172.9
[M]- 305.05161 172.9
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.