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]+ 369.133256 185.7
[M+Na]+ 391.115198 194.5
[M-H]- 367.118704 194.9
[M+NH4]+ 386.159803 199.6
[M+K]+ 407.089138 193.2
[M+H-H2O]+ 351.123240 178.0
[M+HCOO]- 413.124181 208.1
[M+CH3COO]- 427.139831 216.3
[M+Na-2H]- 389.100646 187.2
[M]+ 368.12543142 196.0
[M]- 368.12652858 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.