CID 73981715

Pterosideb

Structural Information

Molecular Formula
C20H28O7
SMILES
CC1CC2=C(C1=O)C(=C(C(=C2)C)CCOC3C(C(C(C(O3)CO)O)O)O)C
InChI
InChI=1S/C20H28O7/c1-9-6-12-7-10(2)16(22)15(12)11(3)13(9)4-5-26-20-19(25)18(24)17(23)14(8-21)27-20/h6,10,14,17-21,23-25H,4-5,7-8H2,1-3H3
InChIKey
UQYNGSPDPASNLN-UHFFFAOYSA-N
Compound name
2,5,7-trimethyl-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

380.1835 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19078 189.3
[M+Na]+ 403.17272 196.0
[M-H]- 379.17622 192.7
[M+NH4]+ 398.21732 201.0
[M+K]+ 419.14666 193.1
[M+H-H2O]+ 363.18076 184.0
[M+HCOO]- 425.18170 200.4
[M+CH3COO]- 439.19735 216.2
[M+Na-2H]- 401.15817 184.9
[M]+ 380.18295 190.9
[M]- 380.18405 190.9
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