CID 372672

Nsc648205

Structural Information

Molecular Formula
C24H24O10
SMILES
CC(=O)C1=CC2=C(C=C1C3=C(C(=C(C=C3C=C(C(=O)OC)C(=O)OC)OC)OC)OC)OCO2
InChI
InChI=1S/C24H24O10/c1-12(25)14-9-17-18(34-11-33-17)10-15(14)20-13(7-16(23(26)31-5)24(27)32-6)8-19(28-2)21(29-3)22(20)30-4/h7-10H,11H2,1-6H3
InChIKey
VDVNFCPTJLOSIN-UHFFFAOYSA-N
Compound name
dimethyl 2-[[2-(6-acetyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxyphenyl]methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.13693 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.14421 206.5
[M+Na]+ 495.12615 212.7
[M-H]- 471.12965 215.9
[M+NH4]+ 490.17075 214.4
[M+K]+ 511.10009 215.5
[M+H-H2O]+ 455.13419 199.3
[M+HCOO]- 517.13513 223.1
[M+CH3COO]- 531.15078 238.0
[M+Na-2H]- 493.11160 203.4
[M]+ 472.13638 219.7
[M]- 472.13748 219.7
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.