CID 44257129

Peltogynan

Structural Information

Molecular Formula
C16H14O5
SMILES
C1[C@H]2[C@@H](C3=CC(=C(C=C3CO2)O)O)OC4=C1C=CC(=C4)O
InChI
InChI=1S/C16H14O5/c17-10-2-1-8-4-15-16(21-14(8)5-10)11-6-13(19)12(18)3-9(11)7-20-15/h1-3,5-6,15-19H,4,7H2/t15-,16+/m0/s1
InChIKey
RKLUSMDAKQQQRH-JKSUJKDBSA-N
Compound name
(6aS,12aR)-5,6a,7,12a-tetrahydroisochromeno[4,3-b]chromene-2,3,10-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.08414 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 159.4
[M+Na]+ 309.07336 167.8
[M-H]- 285.07686 163.4
[M+NH4]+ 304.11796 173.8
[M+K]+ 325.04730 165.6
[M+H-H2O]+ 269.08140 152.6
[M+HCOO]- 331.08234 171.0
[M+CH3COO]- 345.09799 170.3
[M+Na-2H]- 307.05881 167.1
[M]+ 286.08359 158.9
[M]- 286.08469 158.9
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.