CID 1583813

307551-69-5

Structural Information

Molecular Formula
C21H20O6
SMILES
CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)OC(=C3C(=O)OCCOC)C
InChI
InChI=1S/C21H20O6/c1-13-6-4-5-7-16(13)20(22)27-15-8-9-18-17(12-15)19(14(2)26-18)21(23)25-11-10-24-3/h4-9,12H,10-11H2,1-3H3
InChIKey
FCURJJBDKPTQEY-UHFFFAOYSA-N
Compound name
2-methoxyethyl 2-methyl-5-(2-methylbenzoyl)oxy-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.12598 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13326 185.7
[M+Na]+ 391.11520 194.5
[M-H]- 367.11870 194.9
[M+NH4]+ 386.15980 199.6
[M+K]+ 407.08914 193.2
[M+H-H2O]+ 351.12324 178.0
[M+HCOO]- 413.12418 208.1
[M+CH3COO]- 427.13983 216.3
[M+Na-2H]- 389.10065 187.2
[M]+ 368.12543 196.0
[M]- 368.12653 196.0
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.