CID 11045499

Millettocalyxin c

Structural Information

Molecular Formula
C19H14O5
SMILES
COC1=CC(=C(C=C1)OC)C2=CC(=O)C3=C(O2)C4=C(C=C3)OC=C4
InChI
InChI=1S/C19H14O5/c1-21-11-3-5-16(22-2)14(9-11)18-10-15(20)12-4-6-17-13(7-8-23-17)19(12)24-18/h3-10H,1-2H3
InChIKey
DLYWGMBSOSDGOR-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxyphenyl)furo[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

322.08414 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.09142 170.6
[M+Na]+ 345.07336 183.3
[M-H]- 321.07686 182.4
[M+NH4]+ 340.11796 186.6
[M+K]+ 361.04730 181.8
[M+H-H2O]+ 305.08140 163.4
[M+HCOO]- 367.08234 194.1
[M+CH3COO]- 381.09799 184.9
[M+Na-2H]- 343.05881 177.9
[M]+ 322.08359 180.7
[M]- 322.08469 180.7
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

No patent data available for this compound.