CID 3804489

307551-67-3

Structural Information

Molecular Formula
C21H20O5
SMILES
CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)OC(=C3C(=O)OC(C)C)C
InChI
InChI=1S/C21H20O5/c1-12(2)24-21(23)19-14(4)25-18-10-9-15(11-17(18)19)26-20(22)16-8-6-5-7-13(16)3/h5-12H,1-4H3
InChIKey
DBPLWJHZILLNKZ-UHFFFAOYSA-N
Compound name
propan-2-yl 2-methyl-5-(2-methylbenzoyl)oxy-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13107 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.138346 182.7
[M+Na]+ 375.120288 191.4
[M-H]- 351.123794 192.0
[M+NH4]+ 370.164893 197.3
[M+K]+ 391.094228 190.0
[M+H-H2O]+ 335.128330 175.4
[M+HCOO]- 397.129271 204.0
[M+CH3COO]- 411.144921 215.1
[M+Na-2H]- 373.105736 182.9
[M]+ 352.13052142 191.1
[M]- 352.13161858 191.1
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.