CID 131751399

3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one

Structural Information

Molecular Formula
C23H26O8
SMILES
COC1=CC(=CC2=C1OCO2)CC3C(COC3=O)CC4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C23H26O8/c1-25-17-7-13(8-18(26-2)21(17)28-4)5-15-11-29-23(24)16(15)6-14-9-19(27-3)22-20(10-14)30-12-31-22/h7-10,15-16H,5-6,11-12H2,1-4H3
InChIKey
BFDODNWEBMWJIS-UHFFFAOYSA-N
Compound name
3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

430.16278 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.17006 199.3
[M+Na]+ 453.15200 207.0
[M-H]- 429.15550 212.7
[M+NH4]+ 448.19660 209.9
[M+K]+ 469.12594 208.5
[M+H-H2O]+ 413.16004 193.6
[M+HCOO]- 475.16098 217.6
[M+CH3COO]- 489.17663 229.1
[M+Na-2H]- 451.13745 197.9
[M]+ 430.16223 210.4
[M]- 430.16333 210.4
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

patents stripe