CID 5480887

Nsc675453

Structural Information

Molecular Formula
C22H26O5
SMILES
CCCC1=CC(=O)OC2=C(C(=C3C=CC(OC3=C12)(C)C)O)[C@@H]([C@@H](C)C=C)O
InChI
InChI=1S/C22H26O5/c1-6-8-13-11-15(23)26-21-16(13)20-14(9-10-22(4,5)27-20)19(25)17(21)18(24)12(3)7-2/h7,9-12,18,24-25H,2,6,8H2,1,3-5H3/t12-,18+/m0/s1
InChIKey
WKLAEJFUVBZOMI-KPZWWZAWSA-N
Compound name
5-hydroxy-6-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.178 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18528 189.0
[M+Na]+ 393.16722 197.8
[M-H]- 369.17072 193.5
[M+NH4]+ 388.21182 202.1
[M+K]+ 409.14116 195.6
[M+H-H2O]+ 353.17526 182.3
[M+HCOO]- 415.17620 201.4
[M+CH3COO]- 429.19185 219.5
[M+Na-2H]- 391.15267 191.1
[M]+ 370.17745 194.5
[M]- 370.17855 194.5
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.