CID 12314747

2,2,5,7-tetramethyl-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3h-inden-1-one

Structural Information

Molecular Formula
C21H30O7
SMILES
CC1=CC2=C(C(=C1CCOC3C(C(C(C(O3)CO)O)O)O)C)C(=O)C(C2)(C)C
InChI
InChI=1S/C21H30O7/c1-10-7-12-8-21(3,4)19(26)15(12)11(2)13(10)5-6-27-20-18(25)17(24)16(23)14(9-22)28-20/h7,14,16-18,20,22-25H,5-6,8-9H2,1-4H3
InChIKey
QFXWNTWJLHHEKX-UHFFFAOYSA-N
Compound name
2,2,5,7-tetramethyl-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

394.19916 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.20644 192.4
[M+Na]+ 417.18838 201.3
[M+NH4]+ 412.23298 198.2
[M+K]+ 433.16232 198.0
[M-H]- 393.19188 193.7
[M+Na-2H]- 415.17383 192.0
[M]+ 394.19861 193.8
[M]- 394.19971 193.8
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

patents stripe