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 194.4
[M+Na]+ 413.21209 199.6
[M-H]- 389.21559 198.4
[M+NH4]+ 408.25669 207.7
[M+K]+ 429.18603 197.6
[M+H-H2O]+ 373.22013 187.9
[M+HCOO]- 435.22107 199.6
[M+CH3COO]- 449.23672 224.2
[M+Na-2H]- 411.19754 193.6
[M]+ 390.22232 199.4
[M]- 390.22342 199.4
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.