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]+ 285.11214 161.6
[M+Na]+ 307.09408 171.6
[M-H]- 283.09758 168.6
[M+NH4]+ 302.13868 179.6
[M+K]+ 323.06802 169.6
[M+H-H2O]+ 267.10212 155.9
[M+HCOO]- 329.10306 178.0
[M+CH3COO]- 343.11871 174.3
[M+Na-2H]- 305.07953 167.5
[M]+ 284.10431 165.6
[M]- 284.10541 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.