CID 265396

Nsc101321

Structural Information

Molecular Formula
C21H20O6
SMILES
COC1=CC=C(C=C1)C23C(O2)OC4=C(C3=O)C=CC(=C4)OC5CCCCO5
InChI
InChI=1S/C21H20O6/c1-23-14-7-5-13(6-8-14)21-19(22)16-10-9-15(12-17(16)26-20(21)27-21)25-18-4-2-3-11-24-18/h5-10,12,18,20H,2-4,11H2,1H3
InChIKey
XFOPTVJYFVBADW-UHFFFAOYSA-N
Compound name
7a-(4-methoxyphenyl)-4-(oxan-2-yloxy)-1aH-oxireno[2,3-b]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.12598 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13326 183.6
[M+Na]+ 391.11520 192.3
[M-H]- 367.11870 196.7
[M+NH4]+ 386.15980 190.7
[M+K]+ 407.08914 193.8
[M+H-H2O]+ 351.12324 174.2
[M+HCOO]- 413.12418 197.0
[M+CH3COO]- 427.13983 193.9
[M+Na-2H]- 389.10065 190.2
[M]+ 368.12543 189.4
[M]- 368.12653 189.4
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.