CID 336327

Medicarpin

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=CC2=C(C=C1)[C@@H]3COC4=C([C@@H]3O2)C=CC(=C4)O
InChI
InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1
InChIKey
NSRJSISNDPOJOP-BBRMVZONSA-N
Compound name
(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

129
References

656
Patents

270.0892 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 156.0
[M+Na]+ 293.07842 165.6
[M-H]- 269.08192 162.9
[M+NH4]+ 288.12302 174.4
[M+K]+ 309.05236 163.8
[M+H-H2O]+ 253.08646 150.4
[M+HCOO]- 315.08740 172.9
[M+CH3COO]- 329.10305 168.9
[M+Na-2H]- 291.06387 163.2
[M]+ 270.08865 159.3
[M]- 270.08975 159.3
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