CID 5467082

Nsc647367

Structural Information

Molecular Formula
C21H20O7
SMILES
CCO/C=C/C1=CC2=C(C3=C1C4=C(C(=C(C=C4C3=O)OC)OC)OC)OCO2
InChI
InChI=1S/C21H20O7/c1-5-26-7-6-11-8-14-19(28-10-27-14)17-15(11)16-12(18(17)22)9-13(23-2)20(24-3)21(16)25-4/h6-9H,5,10H2,1-4H3/b7-6+
InChIKey
WGDNQDDGMLJPML-VOTSOKGWSA-N
Compound name
5-[(E)-2-ethoxyethenyl]-6,7,8-trimethoxyindeno[1,2-g][1,3]benzodioxol-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1209 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12818 187.3
[M+Na]+ 407.11012 198.1
[M-H]- 383.11362 196.1
[M+NH4]+ 402.15472 203.9
[M+K]+ 423.08406 197.1
[M+H-H2O]+ 367.11816 182.8
[M+HCOO]- 429.11910 206.6
[M+CH3COO]- 443.13475 222.1
[M+Na-2H]- 405.09557 189.2
[M]+ 384.12035 200.2
[M]- 384.12145 200.2
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.