CID 468073

Omega-ddb

Structural Information

Molecular Formula
C20H18O10
SMILES
COC1=C2C(=C(C(=C1)C3=CC(=C4C(=C3C(=O)OC)OCO4)OC)C(=O)OC)OCO2
InChI
InChI=1S/C20H18O10/c1-23-11-5-9(13(19(21)25-3)17-15(11)27-7-29-17)10-6-12(24-2)16-18(30-8-28-16)14(10)20(22)26-4/h5-6H,7-8H2,1-4H3
InChIKey
XGHOSONSGONOCZ-UHFFFAOYSA-N
Compound name
methyl 7-methoxy-5-(7-methoxy-4-methoxycarbonyl-1,3-benzodioxol-5-yl)-1,3-benzodioxole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

418.09 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.09728 191.0
[M+Na]+ 441.07922 199.4
[M-H]- 417.08272 203.2
[M+NH4]+ 436.12382 201.4
[M+K]+ 457.05316 204.0
[M+H-H2O]+ 401.08726 187.0
[M+HCOO]- 463.08820 207.4
[M+CH3COO]- 477.10385 226.0
[M+Na-2H]- 439.06467 192.2
[M]+ 418.08945 204.8
[M]- 418.09055 204.8
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

patents stripe