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]+ 353.13835 182.7
[M+Na]+ 375.12029 191.4
[M-H]- 351.12379 192.0
[M+NH4]+ 370.16489 197.3
[M+K]+ 391.09423 190.0
[M+H-H2O]+ 335.12833 175.4
[M+HCOO]- 397.12927 204.0
[M+CH3COO]- 411.14492 215.1
[M+Na-2H]- 373.10574 182.9
[M]+ 352.13052 191.1
[M]- 352.13162 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.