CID 5063290

102706-14-9

Structural Information

Molecular Formula
C22H18O5
SMILES
COC1=CC(=CC2=C1OC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC
InChI
InChI=1S/C22H18O5/c1-24-18-13-15(21(23)25-2)14-19-20(18)27-22(26-19,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14H,1-2H3
InChIKey
WVRUKYMJAFHADO-UHFFFAOYSA-N
Compound name
methyl 7-methoxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

362.11542 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12270 182.6
[M+Na]+ 385.10464 198.3
[M+NH4]+ 380.14924 192.1
[M+K]+ 401.07858 191.1
[M-H]- 361.10814 191.3
[M+Na-2H]- 383.09009 192.1
[M]+ 362.11487 187.7
[M]- 362.11597 187.7
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