CID 503991

Sessiliflorene

Structural Information

Molecular Formula
C18H24O6
SMILES
CC(C)CC(=O)C1=C(C(=C(C(=C1O)C(=O)C)O)CC(C(=C)C)O)O
InChI
InChI=1S/C18H24O6/c1-8(2)6-13(21)15-17(23)11(7-12(20)9(3)4)16(22)14(10(5)19)18(15)24/h8,12,20,22-24H,3,6-7H2,1-2,4-5H3
InChIKey
IVCZSTVLAZFXIS-UHFFFAOYSA-N
Compound name
1-[3-acetyl-2,4,6-trihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)phenyl]-3-methylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

336.1573 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16458 175.8
[M+Na]+ 359.14652 181.2
[M-H]- 335.15002 174.3
[M+NH4]+ 354.19112 187.1
[M+K]+ 375.12046 178.8
[M+H-H2O]+ 319.15456 170.6
[M+HCOO]- 381.15550 188.1
[M+CH3COO]- 395.17115 210.1
[M+Na-2H]- 357.13197 168.4
[M]+ 336.15675 177.0
[M]- 336.15785 177.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe