CID 338961

73386-48-8

Structural Information

Molecular Formula
C16H11NO2S
SMILES
C1C(SC2=C1C3=CC=CC=C3OC2=O)C4=CC=NC=C4
InChI
InChI=1S/C16H11NO2S/c18-16-15-12(11-3-1-2-4-13(11)19-16)9-14(20-15)10-5-7-17-8-6-10/h1-8,14H,9H2
InChIKey
XOZGNWLANISQOQ-UHFFFAOYSA-N
Compound name
2-pyridin-4-yl-1,2-dihydrothieno[2,3-c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.05106 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.05834 159.1
[M+Na]+ 304.04028 170.5
[M-H]- 280.04378 167.9
[M+NH4]+ 299.08488 177.2
[M+K]+ 320.01422 166.2
[M+H-H2O]+ 264.04832 152.5
[M+HCOO]- 326.04926 175.7
[M+CH3COO]- 340.06491 172.4
[M+Na-2H]- 302.02573 164.3
[M]+ 281.05051 162.9
[M]- 281.05161 162.9
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.