CID 44257476

Trifolian

Structural Information

Molecular Formula
C17H14O7
SMILES
COC1=C(C2=C(C=C1O)OCC3C2OC4=CC5=C(C=C34)OCO5)O
InChI
InChI=1S/C17H14O7/c1-20-17-9(18)3-13-14(15(17)19)16-8(5-21-13)7-2-11-12(23-6-22-11)4-10(7)24-16/h2-4,8,16,18-19H,5-6H2,1H3
InChIKey
PCVFSIAOIHIYNK-UHFFFAOYSA-N
Compound name
15-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene-14,16-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

330.07394 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.081216 166.8
[M+Na]+ 353.063158 176.9
[M-H]- 329.066664 175.1
[M+NH4]+ 348.107763 182.1
[M+K]+ 369.037098 177.7
[M+H-H2O]+ 313.071200 163.9
[M+HCOO]- 375.072141 179.1
[M+CH3COO]- 389.087791 179.1
[M+Na-2H]- 351.048606 172.0
[M]+ 330.07339142 173.5
[M]- 330.07448858 173.5
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