CID 13803637

Isomedicarpin

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=CC2=C(C=C1)C3C(CO2)C4=C(O3)C=C(C=C4)O
InChI
InChI=1S/C16H14O4/c1-18-10-3-5-12-14(7-10)19-8-13-11-4-2-9(17)6-15(11)20-16(12)13/h2-7,13,16-17H,8H2,1H3
InChIKey
YHZDBBUEVZEOIY-UHFFFAOYSA-N
Compound name
3-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
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