CID 3057753

Brn 5598524

Structural Information

Molecular Formula
C20H22O4
SMILES
CCOC(=O)C(C)OC1=CC=CC(=C1C)C(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C20H22O4/c1-5-23-20(22)15(4)24-18-8-6-7-17(14(18)3)19(21)16-11-9-13(2)10-12-16/h6-12,15H,5H2,1-4H3
InChIKey
SRHSNOYWTBMYHV-UHFFFAOYSA-N
Compound name
ethyl 2-[2-methyl-3-(4-methylbenzoyl)phenoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1518 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.159076 176.6
[M+Na]+ 349.141018 182.9
[M-H]- 325.144524 183.3
[M+NH4]+ 344.185623 190.6
[M+K]+ 365.114958 180.5
[M+H-H2O]+ 309.149060 168.5
[M+HCOO]- 371.150001 197.2
[M+CH3COO]- 385.165651 212.0
[M+Na-2H]- 347.126466 175.9
[M]+ 326.15125142 181.4
[M]- 326.15234858 181.4
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.