CID 454899

Nsc649970

Structural Information

Molecular Formula
C17H16O4
SMILES
CC1=C2C3COC4=CC=CC=C4C3OC2=CC(=C1O)OC
InChI
InChI=1S/C17H16O4/c1-9-15-11-8-20-12-6-4-3-5-10(12)17(11)21-13(15)7-14(19-2)16(9)18/h3-7,11,17-18H,8H2,1-2H3
InChIKey
MOTRDZXGAHLQSQ-UHFFFAOYSA-N
Compound name
9-methoxy-7-methyl-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.10486 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.112136 161.6
[M+Na]+ 307.094078 171.6
[M-H]- 283.097584 168.6
[M+NH4]+ 302.138683 179.6
[M+K]+ 323.068018 169.6
[M+H-H2O]+ 267.102120 155.9
[M+HCOO]- 329.103061 178.0
[M+CH3COO]- 343.118711 174.3
[M+Na-2H]- 305.079526 167.5
[M]+ 284.10431142 165.6
[M]- 284.10540858 165.6
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.