CID 3009438

4,8,8-trimethylthiopyrano[2,3-f]chromen-2-one

Structural Information

Molecular Formula
C15H14O2S
SMILES
CC1=CC(=O)SC2=C1C=CC3=C2C=CC(O3)(C)C
InChI
InChI=1S/C15H14O2S/c1-9-8-13(16)18-14-10(9)4-5-12-11(14)6-7-15(2,3)17-12/h4-8H,1-3H3
InChIKey
CYFCUWYTXIOACS-UHFFFAOYSA-N
Compound name
4,8,8-trimethylthiopyrano[2,3-f]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.07144 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07872 152.0
[M+Na]+ 281.06066 163.7
[M-H]- 257.06416 159.1
[M+NH4]+ 276.10526 173.1
[M+K]+ 297.03460 160.4
[M+H-H2O]+ 241.06870 146.2
[M+HCOO]- 303.06964 167.5
[M+CH3COO]- 317.08529 165.8
[M+Na-2H]- 279.04611 159.2
[M]+ 258.07089 157.2
[M]- 258.07199 157.2
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.