CID 3043881

Brn 1326548

Structural Information

Molecular Formula
C23H34O2S
SMILES
CCCCCC(C)C(C)C1=CC(=C2C(=C1)OC(C3=C2C(CS3)C)(C)C)O
InChI
InChI=1S/C23H34O2S/c1-7-8-9-10-14(2)16(4)17-11-18(24)21-19(12-17)25-23(5,6)22-20(21)15(3)13-26-22/h11-12,14-16,24H,7-10,13H2,1-6H3
InChIKey
YHLYCRRAQSELEI-UHFFFAOYSA-N
Compound name
1,4,4-trimethyl-7-(3-methyloctan-2-yl)-1,2-dihydrothieno[2,3-c]chromen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

374.22797 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.23525 192.6
[M+Na]+ 397.21719 203.2
[M+NH4]+ 392.26179 202.6
[M+K]+ 413.19113 194.1
[M-H]- 373.22069 196.2
[M+Na-2H]- 395.20264 194.5
[M]+ 374.22742 195.9
[M]- 374.22852 195.9
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

patents stripe