CID 3044922

Brn 1323257

Structural Information

Molecular Formula
C22H30O2S
SMILES
CCCCCC(C)C(C)C1=CC(=C2C3=C(C(OC2=C1)(C)C)SC=C3)O
InChI
InChI=1S/C22H30O2S/c1-6-7-8-9-14(2)15(3)16-12-18(23)20-17-10-11-25-21(17)22(4,5)24-19(20)13-16/h10-15,23H,6-9H2,1-5H3
InChIKey
BQUDFNSJTOYURU-UHFFFAOYSA-N
Compound name
4,4-dimethyl-7-(3-methyloctan-2-yl)thieno[2,3-c]chromen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.19666 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.20394 187.8
[M+Na]+ 381.18588 194.9
[M-H]- 357.18938 192.1
[M+NH4]+ 376.23048 205.9
[M+K]+ 397.15982 190.9
[M+H-H2O]+ 341.19392 182.8
[M+HCOO]- 403.19486 197.9
[M+CH3COO]- 417.21051 216.5
[M+Na-2H]- 379.17133 186.4
[M]+ 358.19611 194.0
[M]- 358.19721 194.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.