CID 389238

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

Structural Information

Molecular Formula
C19H13NO3S
SMILES
COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=CSC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C19H13NO3S/c1-22-14-7-8-17-13(9-14)10-15(19(21)23-17)16-11-24-18(20-16)12-5-3-2-4-6-12/h2-11H,1H3
InChIKey
VQCUKZRPXAZGDX-UHFFFAOYSA-N
Compound name
6-methoxy-3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.0616 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.06888 175.6
[M+Na]+ 358.05082 188.3
[M-H]- 334.05432 187.6
[M+NH4]+ 353.09542 190.5
[M+K]+ 374.02476 183.6
[M+H-H2O]+ 318.05886 167.7
[M+HCOO]- 380.05980 195.6
[M+CH3COO]- 394.07545 188.9
[M+Na-2H]- 356.03627 179.6
[M]+ 335.06105 183.4
[M]- 335.06215 183.4
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.