CID 12309400

Durmillone

Structural Information

Molecular Formula
C22H18O6
SMILES
CC1(C=CC2=C3C(=CC(=C2O1)OC)C(=O)C(=CO3)C4=CC5=C(C=C4)OCO5)C
InChI
InChI=1S/C22H18O6/c1-22(2)7-6-13-20-14(9-18(24-3)21(13)28-22)19(23)15(10-25-20)12-4-5-16-17(8-12)27-11-26-16/h4-10H,11H2,1-3H3
InChIKey
SQBVRNCDBATODN-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-6-methoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

378.11035 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11763 186.8
[M+Na]+ 401.09957 198.6
[M-H]- 377.10307 199.9
[M+NH4]+ 396.14417 200.4
[M+K]+ 417.07351 199.3
[M+H-H2O]+ 361.10761 179.2
[M+HCOO]- 423.10855 202.5
[M+CH3COO]- 437.12420 199.3
[M+Na-2H]- 399.08502 193.3
[M]+ 378.10980 195.5
[M]- 378.11090 195.5
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.