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]+ 391.230146 194.4
[M+Na]+ 413.212088 199.6
[M-H]- 389.215594 198.4
[M+NH4]+ 408.256693 207.7
[M+K]+ 429.186028 197.6
[M+H-H2O]+ 373.220130 187.9
[M+HCOO]- 435.221071 199.6
[M+CH3COO]- 449.236721 224.2
[M+Na-2H]- 411.197536 193.6
[M]+ 390.22232142 199.4
[M]- 390.22341858 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.