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]+ 385.128176 187.3
[M+Na]+ 407.110118 198.1
[M-H]- 383.113624 196.1
[M+NH4]+ 402.154723 203.9
[M+K]+ 423.084058 197.1
[M+H-H2O]+ 367.118160 182.8
[M+HCOO]- 429.119101 206.6
[M+CH3COO]- 443.134751 222.1
[M+Na-2H]- 405.095566 189.2
[M]+ 384.12035142 200.2
[M]- 384.12144858 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.