CID 3044918

Brn 1405752

Structural Information

Molecular Formula
C25H29FO2S
SMILES
CC1CSC2=C1C3=C(C=C(C=C3OC2(C)C)C(C)CCCC4=CC=C(C=C4)F)O
InChI
InChI=1S/C25H29FO2S/c1-15(6-5-7-17-8-10-19(26)11-9-17)18-12-20(27)23-21(13-18)28-25(3,4)24-22(23)16(2)14-29-24/h8-13,15-16,27H,5-7,14H2,1-4H3
InChIKey
CDHDXFFFAFVYKB-UHFFFAOYSA-N
Compound name
7-[5-(4-fluorophenyl)pentan-2-yl]-1,4,4-trimethyl-1,2-dihydrothieno[2,3-c]chromen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

412.18723 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.19451 200.7
[M+Na]+ 435.17645 213.6
[M+NH4]+ 430.22105 210.8
[M+K]+ 451.15039 202.9
[M-H]- 411.17995 205.8
[M+Na-2H]- 433.16190 205.3
[M]+ 412.18668 204.8
[M]- 412.18778 204.8
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.