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

16
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

literature stripe

Patent stripe

patents stripe