CID 6474289

4-(2-(1,3-thiazolin-2-yl)vinyl)isochromen-1-one

Structural Information

Molecular Formula
C14H11NO2S
SMILES
C1CSC(=N1)/C=C\C2=COC(=O)C3=CC=CC=C32
InChI
InChI=1S/C14H11NO2S/c16-14-12-4-2-1-3-11(12)10(9-17-14)5-6-13-15-7-8-18-13/h1-6,9H,7-8H2/b6-5-
InChIKey
STJYZXIVZMDPBP-WAYWQWQTSA-N
Compound name
4-[(Z)-2-(4,5-dihydro-1,3-thiazol-2-yl)ethenyl]isochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.05106 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05834 154.6
[M+Na]+ 280.04028 165.0
[M-H]- 256.04378 162.3
[M+NH4]+ 275.08488 172.6
[M+K]+ 296.01422 160.9
[M+H-H2O]+ 240.04832 148.1
[M+HCOO]- 302.04926 172.3
[M+CH3COO]- 316.06491 167.8
[M+Na-2H]- 278.02573 158.4
[M]+ 257.05051 157.7
[M]- 257.05161 157.7
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.