CID 4485701

3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane

Structural Information

Molecular Formula
C24H32O7
SMILES
CC1C(C(OC1C2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC)C
InChI
InChI=1S/C24H32O7/c1-13-14(2)22(16-11-19(27-5)24(30-8)20(12-16)28-6)31-21(13)15-9-17(25-3)23(29-7)18(10-15)26-4/h9-14,21-22H,1-8H3
InChIKey
ZPINJJOPURFFNV-UHFFFAOYSA-N
Compound name
3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

14
Patents

432.2148 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.22208 202.5
[M+Na]+ 455.20402 211.0
[M-H]- 431.20752 214.1
[M+NH4]+ 450.24862 213.8
[M+K]+ 471.17796 211.0
[M+H-H2O]+ 415.21206 194.3
[M+HCOO]- 477.21300 222.9
[M+CH3COO]- 491.22865 234.1
[M+Na-2H]- 453.18947 198.6
[M]+ 432.21425 214.7
[M]- 432.21535 214.7
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.