CID 208166

Brn 1326443

Structural Information

Molecular Formula
C23H34O3S
SMILES
CCCCCC(C)C(C)C1=CC(=C2C3CCOC(=C3C(OC2=C1)(C)C)S)O
InChI
InChI=1S/C23H34O3S/c1-6-7-8-9-14(2)15(3)16-12-18(24)20-17-10-11-25-22(27)21(17)23(4,5)26-19(20)13-16/h12-15,17,24,27H,6-11H2,1-5H3
InChIKey
GIPMKFQKAKKXCS-UHFFFAOYSA-N
Compound name
5,5-dimethyl-8-(3-methyloctan-2-yl)-4-sulfanyl-2,10b-dihydro-1H-pyrano[3,4-c]chromen-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.22287 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.23015 195.7
[M+Na]+ 413.21209 207.2
[M+NH4]+ 408.25669 205.1
[M+K]+ 429.18603 196.8
[M-H]- 389.21559 200.8
[M+Na-2H]- 411.19754 197.7
[M]+ 390.22232 199.6
[M]- 390.22342 199.6
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.