CID 44257464

2-hydroxy-4-methoxypterocarpin

Structural Information

Molecular Formula
C18H16O7
SMILES
COC1=C(C=C2C3C(COC2=C1OC)C4=CC5=C(C=C4O3)OCO5)O
InChI
InChI=1S/C18H16O7/c1-20-17-11(19)3-9-15-10(6-22-16(9)18(17)21-2)8-4-13-14(24-7-23-13)5-12(8)25-15/h3-5,10,15,19H,6-7H2,1-2H3
InChIKey
GPFUEUABGPAZKE-UHFFFAOYSA-N
Compound name
16,17-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-15-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.0896 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09688 171.6
[M+Na]+ 367.07882 181.7
[M-H]- 343.08232 181.0
[M+NH4]+ 362.12342 186.9
[M+K]+ 383.05276 183.0
[M+H-H2O]+ 327.08686 168.3
[M+HCOO]- 389.08780 185.0
[M+CH3COO]- 403.10345 184.0
[M+Na-2H]- 365.06427 176.5
[M]+ 344.08905 180.1
[M]- 344.09015 180.1
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.