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]+ 327.15908 176.6
[M+Na]+ 349.14102 182.9
[M-H]- 325.14452 183.3
[M+NH4]+ 344.18562 190.6
[M+K]+ 365.11496 180.5
[M+H-H2O]+ 309.14906 168.5
[M+HCOO]- 371.15000 197.2
[M+CH3COO]- 385.16565 212.0
[M+Na-2H]- 347.12647 175.9
[M]+ 326.15125 181.4
[M]- 326.15235 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.