CID 13964506

Ptelatoside a

Structural Information

Molecular Formula
C19H26O10
SMILES
C=CC1=CC=C(C=C1)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O
InChI
InChI=1S/C19H26O10/c1-2-9-3-5-10(6-4-9)28-19-17(25)15(23)14(22)12(29-19)8-27-18-16(24)13(21)11(20)7-26-18/h2-6,11-25H,1,7-8H2
InChIKey
DZMYOBBWRZTUTA-UHFFFAOYSA-N
Compound name
2-(4-ethenylphenoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.1526 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.15988 195.2
[M+Na]+ 437.14182 198.1
[M-H]- 413.14532 198.0
[M+NH4]+ 432.18642 198.6
[M+K]+ 453.11576 197.7
[M+H-H2O]+ 397.14986 186.8
[M+HCOO]- 459.15080 201.2
[M+CH3COO]- 473.16645 216.0
[M+Na-2H]- 435.12727 191.9
[M]+ 414.15205 192.8
[M]- 414.15315 192.8
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

No patent data available for this compound.