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]+ 371.185276 189.0
[M+Na]+ 393.167218 197.8
[M-H]- 369.170724 193.5
[M+NH4]+ 388.211823 202.1
[M+K]+ 409.141158 195.6
[M+H-H2O]+ 353.175260 182.3
[M+HCOO]- 415.176201 201.4
[M+CH3COO]- 429.191851 219.5
[M+Na-2H]- 391.152666 191.1
[M]+ 370.17745142 194.5
[M]- 370.17854858 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.