CID 71314097

Dtxsid20747182

Structural Information

Molecular Formula
C21H24O4
SMILES
CCCC1=CC2=C(C=C1CC3=C(C4=C(C=C3)OCO4)CCC)OCO2
InChI
InChI=1S/C21H24O4/c1-3-5-14-10-19-20(24-12-23-19)11-16(14)9-15-7-8-18-21(25-13-22-18)17(15)6-4-2/h7-8,10-11H,3-6,9,12-13H2,1-2H3
InChIKey
WIEJLBMZESIILX-UHFFFAOYSA-N
Compound name
4-propyl-5-[(6-propyl-1,3-benzodioxol-5-yl)methyl]-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.16745 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.174726 183.0
[M+Na]+ 363.156668 191.2
[M-H]- 339.160174 194.0
[M+NH4]+ 358.201273 197.1
[M+K]+ 379.130608 191.0
[M+H-H2O]+ 323.164710 178.4
[M+HCOO]- 385.165651 200.0
[M+CH3COO]- 399.181301 194.9
[M+Na-2H]- 361.142116 185.1
[M]+ 340.16690142 190.4
[M]- 340.16799858 190.4
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

No patent data available for this compound.