CID 389234

Nsc684987

Structural Information

Molecular Formula
C17H11NO2S
SMILES
CC1=NC(=CS1)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O
InChI
InChI=1S/C17H11NO2S/c1-10-18-15(9-21-10)14-8-13-12-5-3-2-4-11(12)6-7-16(13)20-17(14)19/h2-9H,1H3
InChIKey
VNMJQBLLODGGKP-UHFFFAOYSA-N
Compound name
2-(2-methyl-1,3-thiazol-4-yl)benzo[f]chromen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.05106 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.05834 163.3
[M+Na]+ 316.04028 177.2
[M-H]- 292.04378 173.2
[M+NH4]+ 311.08488 181.4
[M+K]+ 332.01422 172.3
[M+H-H2O]+ 276.04832 156.6
[M+HCOO]- 338.04926 182.3
[M+CH3COO]- 352.06491 177.5
[M+Na-2H]- 314.02573 169.0
[M]+ 293.05051 170.6
[M]- 293.05161 170.6
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.